SCHEMBL467566

SCHEMBL467566

[c]1nc(-c2nccc3ccccc23)cc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 2/20 0.42
GLA P06280 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PLAU P00749 2/20 0.41
CYP2A6 P11509 1/20 0.41
F12 P00748 1/20 0.41
NCF1 P14598 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
BACE1 P56817 1/20 0.41
HTR2C P28335 1/20 0.40
GPR55 Q9Y2T6 1/20 0.39
MAPK1 P28482 3/20 0.37
NPY5R Q15761 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9870201 0.76 ALDH1A1 (0.35) MAPTKDM4ENPC1GLACYP2A6
SCHEMBL11012472 0.76 RAB9A (0.39) MAPTKDM4ENPC1RAB9AKMT2A
SCHEMBL5512224 0.76 KDM4E (0.36) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL9674487 0.75 CYP1A2 (0.48) MAPTKDM4ENPC1RAB9ANCF1
SCHEMBL11299106 0.75 HTT (0.34) MAPTKDM4EALDH1A1CYP3A4CYP1A2
SCHEMBL20873061 0.75 NPC1 (0.46) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL2187573 0.75 MEN1 (0.43) MAPTKDM4ENPC1KMT2AHTR2C
SCHEMBL29923403 0.74 PLAU (0.60) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL199273 0.74 PLAU (0.60) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL5595305 0.73 KDM4E (0.52) MAPTKDM4ENPC1RAB9AL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159464-A1 PROCESS FOR PRODUCING 4,5-DIHYDRO-1H-PYRAZOLES AND INTERMEDIATES NOVO NORDISK A/S (DK) 2023-05-25 US disclosed
US-8865751-B2 Thiazoles, imidazoles, and pyrazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-21 US disclosed
US-20130090479-A1 THIAZOLES, IMIDAZOLES, AND PYRAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
US-8298994-B2 Substituted 1-(diazinyl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2012-10-30 US disclosed
US-8067611-B2 Substituted 1-(thiazolyl)-and 1-(isothiazolyl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2011-11-29 US disclosed
EP-2387395-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER Rigel Pharmaceuticals, Inc. (US) 2011-11-23 EP disclosed
US-20110281846-A1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-11-17 US disclosed
US-20110257014-A1 1-(Heteroaryl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2011-10-20 US disclosed
US-8040491-B2 Exposure method, substrate stage, exposure apparatus, and device manufacturing method NIKON CORPORATION (JP) 2011-10-18 US disclosed
US-8012965-B2 e.g. 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-N3-(5,7-ethano-5,7,8-trihydro-6-methyl-1,6-naphthyridin-3-yl)-1H-1,2,4-triazole-3,5-diamine; angiogenesis inhibitor, antiproliferative agent RIGEL PHARMACEUTICALS, INC. (US) 2011-09-06 US disclosed
US-20110183986-A1 POLYCYCLIC ARYL SUBSTITUTED TRIAZOLES AND POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-07-28 US disclosed
US-7935693-B2 Polycyclic aryl substituted triazoles and polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
US-20110098317-A1 USE OF UNSATURATED SPHINGOSINE COMPOUNDS AS CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER CHILDREN'S HOSPITAL & RESEARCH CENTER AT OAKLAND (US) 2011-04-28 US disclosed
US-20110071133-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-7872000-B2 angiogenesis and/or cell proliferation, carcinoma, myeloid leukemia, endometriosis; inhibitors of the receptor protein tyrosine kinase; N3-(3-cyclopentyl-1,2,3,4,5,6-hexahydrobenzo[d]azocin-8-yl)-1-(6-fluoroquinazolin-4-yl)-1H-1,2,4-triazole-3,5-diamine RIGEL PHARMACEUTICALS, INC. (US) 2011-01-18 US disclosed
US-20100197501-A1 SUBSTITUTED 1-(THIAZOLYL)-AND 1-(ISOTHIAZOLYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2010-08-05 US disclosed
US-20100160164-A1 SUBSTITUTED 1-(DIAZINYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-06-24 US disclosed
WO-2002069972-A2 TRIAZOLE COMPOUNDS AND THE USE THEREOF IN THE PROPHYLAXIS AND THERAPY OF NEURODEGENERATIVE DISEASES, CEREBRAL TRAUMA AND CEREBRAL ISCHEMIA ABBOTT GMBH & CO. KG (DE) 2002-09-12 WO disclosed
EP-0891321-A1 PROCESS FOR THE CARBONYLATION OF ACETYLENICALLY UNSATURATED COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1999-01-20 EP disclosed
WO-1997035832-A1 PROCESS FOR THE CARBONYLATION OF ACETYLENICALLY UNSATURATED COMPOUNDS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1997-10-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110071133-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB2 MAPT 2911/4885KDM4E 3487/4885NPC1 4201/4885
US-20110281846-A1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, ERBB2, TYRO3 MAPT 1978/4885KDM4E 3533/4885NPC1 4347/4885
US-20100160164-A1 SUBSTITUTED 1-(DIAZINYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS DDT, DDC, HPD MAPT 4810/4885KDM4E 1326/4885NPC1 4762/4885
US-20110098317-A1 USE OF UNSATURATED SPHINGOSINE COMPOUNDS AS CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER SGMS1, SPHK1, SPHK2 MAPT 3351/4885KDM4E 3884/4885NPC1 156/4885
US-20110183986-A1 POLYCYCLIC ARYL SUBSTITUTED TRIAZOLES AND POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 MAPT 3002/4885KDM4E 3717/4885NPC1 3983/4885
US-20100197501-A1 SUBSTITUTED 1-(THIAZOLYL)-AND 1-(ISOTHIAZOLYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS THRA, TSHR, DDT MAPT 4674/4885KDM4E 2158/4885NPC1 4116/4885
US-20110257014-A1 1-(Heteroaryl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators DDT, HPD, DDC MAPT 4198/4885KDM4E 997/4885NPC1 4678/4885
US-20230159464-A1 PROCESS FOR PRODUCING 4,5-DIHYDRO-1H-PYRAZOLES AND INTERMEDIATES LMNB1, LMNB2, LMNA MAPT 3068/4885KDM4E 464/4885NPC1 693/4885
US-20130090479-A1 THIAZOLES, IMIDAZOLES, AND PYRAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K5, MAP3K1, MAP3K20 MAPT 758/4885KDM4E 2143/4885NPC1 2111/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.