SCHEMBL128329

SCHEMBL128329

COC(=O)c1ccc[c]n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
TSHR P16473 2/20 0.41
CYP1A2 P05177 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
CYP2C19 P33261 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL1815292 0.80 HPGDS (0.40) TSHRMAPTRECQLTP53CA12
SCHEMBL2880292 0.80 MEN1 (0.37) CYP1A2MAPTSMN1; SMN2NPC1CYP2C19
SCHEMBL127485 0.80 CYP1A2 (0.61) MAPK1TSHRCYP1A2MAPTNPC1
SCHEMBL128143 0.80 ALDH1A1 (0.47) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL128427 0.78 ALDH1A1 (0.50) MAPK1TSHRCYP1A2MAPTSMN1; SMN2
SCHEMBL12471307 0.77 BRD4 (0.42) TSHRCYP1A2MAPTNPC1CYP2C19
SCHEMBL12615436 0.77 NPC1 (0.42) TSHRCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL127796 0.75 TSHR (0.53) MAPK1TSHRCYP1A2MAPTSMN1; SMN2
SCHEMBL3039740 0.75 HPGD (0.52) MAPK1CYP1A2SMN1; SMN2NPC1CYP2C19
SCHEMBL9900621 0.74 ALDH1A1 (0.40) MAPK1MAPTSMN1; SMN2GAACYP2C9

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552893-B1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-10-29 EP claimed
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-05-08 US claimed
CN-103517710-A Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC 2014-01-15 CN claimed
EP-2672967-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2013-12-18 EP claimed
US-20130096119-A1 Isoquinolin-3-Ylurea Derivatives BUR DANIEL (CH) 2013-04-18 US claimed
EP-2552893-A1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2013-02-06 EP claimed
WO-2012109075-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2012-08-16 WO claimed
WO-2011121555-A1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-06 WO claimed
EP-1725537-B1 NOVEL COMPOUNDS AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-07-13 EP claimed
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2023-09-07 US disclosed
US-11337976-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2022-05-24 US disclosed
EP-2672967-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-10-17 EP disclosed
US-9962377-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2018-05-08 US disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-5602076-A INSECTICIDES, NEMATOCIDES ZENECA LIMITED (GB) 1997-02-11 US disclosed
US-5470819-A Plant growth regulators, insecticides ZENECA LIMITED (GB) 1995-11-28 US disclosed
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP disclosed
US-5057146-A CERTAIN 2-PYRIDYL OXY-PHENYL ACRYLATES HAVING FUNGICIDAL, INSECTICIDAL, NEMATOCIDAL AND PLANT GROWTH REGULATING ACTIVITY IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-15 US disclosed
US-5047521-A Anticarcinogenic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 EP 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 (4 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-11337976-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, PRKACA, MAP3K13 MAPK1 97/4885TSHR 3588/4885CYP1A2 4746/4885
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 MAPK1 97/4885TSHR 3588/4885CYP1A2 4746/4885
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 MAPK1 97/4885TSHR 3588/4885CYP1A2 4746/4885
US-20130096119-A1 Isoquinolin-3-Ylurea Derivatives CLIC1, IRF3, KCNH3 MAPK1 3610/4885TSHR 1228/4885CYP1A2 673/4885

“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.