SCHEMBL12543710

SCHEMBL12543710

Cc1nc2ccccc2nc1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
MAPT P10636 5/20 0.67
KDM4E B2RXH2 4/20 0.67
HSD17B10 Q99714 3/20 0.67
HPGD P15428 3/20 0.67
GAA P10253 2/20 0.67
CYP1A2 P05177 4/20 0.54
NUDT1 P36639 2/20 0.54
PDPK1 O15530 1/20 0.50
GPR3 P46089 1/20 0.48
DCPS Q96C86 1/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.46
NQO2 P16083 2/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL30939014 1.00 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL29364974 0.81 MAPT (0.62) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL503252 0.81 MAPT (1.00) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL103601 0.81 MAPT (0.62) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL29444102 0.81 MAPT (1.00) ALDH1A1MAPTKDM4EHSD17B10HPGD
Ammonia Solution, Strong SCHEMBL27821564 0.78 MAPT (0.59) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL11011451 0.78 MAPT (0.59) ALDH1A1MAPTKDM4EHSD17B10HPGD
Water SCHEMBL27864881 0.78 MAPT (0.59) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL18873137 0.78 NQO2 (0.57) ALDH1A1MAPTKDM4ECYP1A2MEN1
Hydrochloric Acid SCHEMBL28590789 0.76 MAPT (0.56) ALDH1A1MAPTKDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2023-10-12 US disclosed
WO-2023023867-A1 COMPOUNDS FOR REDUCING CHOLESTEROL AND TREATING LIVER AND KIDNEY DISEASE MCMASTER UNIVERSITY (CA) 2023-03-02 WO disclosed
CN-110603253-B Heteroaryl phenylamino quinolines and analogs 拜耳公司 2023-01-20 CN disclosed
US-11457629-B2 Heteroarylphenylaminoquinolines and analogues BAYER AKTIENGESELLSCHAFT (DE) 2022-10-04 US disclosed
EP-3615523-B1 HETEROARYLPHENYLAMINOQUINOLINES AND ANALOGUES BAYER AG (DE) 2021-07-14 EP disclosed
EP-3442047-B1 ORGANIC LIGHT-EMITTING DISPLAY APPARATUS SAMSUNG DISPLAY CO LTD (KR) 2021-05-05 EP disclosed
US-20200196602-A1 HETEROARYLPHENYLAMINOQUINOLINES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 US disclosed
EP-3615523-A1 HETEROARYLPHENYLAMINOQUINOLINES AND ANALOGUES Bayer Aktiengesellschaft (DE) 2020-03-04 EP disclosed
CN-110603253-A Heteroaryl phenylamino quinolines and analogs 拜耳公司 2019-12-20 CN disclosed
EP-3442047-A1 ORGANIC LIGHT-EMITTING DISPLAY APPARATUS Samsung Display Co., Ltd. (KR) 2019-02-13 EP disclosed
US-20140309231-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-10-16 US disclosed
US-8846664-B2 Pyrazinopyrazines and derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
EP-2282999-B1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-05-21 EP disclosed
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-7956056-B2 Certain 1H-imidazo[4,5-B]pyrazin-2(3H)-ones and 1H-imidazo[4,5-B]pyrazin-2-ols, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2011-06-07 US disclosed
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2010-04-15 US disclosed
WO-2008101979-A1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO S.A. (CH) 2008-08-28 WO disclosed
US-20070093491-A1 Novel condensed n-pyrazinyl-sulphonamides and their use in the treament of chemokine mediated diseases ASTRAZENECA AB (SE) 2007-04-26 US 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-20140309231-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS NPPA, NAT1, NPM1 ALDH1A1 646/4885MAPT 2023/4885KDM4E 2934/4885
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 ALDH1A1 4707/4885MAPT 3621/4885KDM4E 1527/4885
US-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER DDX21, HRAS, RPL17 ALDH1A1 1946/4885MAPT 3829/4885KDM4E 2305/4885
US-20070093491-A1 Novel condensed n-pyrazinyl-sulphonamides and their use in the treament of chemokine mediated diseases CCL2, CCL11, CCR2 ALDH1A1 2310/4885MAPT 2637/4885KDM4E 4607/4885
US-20200196602-A1 HETEROARYLPHENYLAMINOQUINOLINES AND ANALOGUES PIK3C3, DDT, CYP4X1 ALDH1A1 2092/4885MAPT 3159/4885KDM4E 648/4885
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 ALDH1A1 4078/4885MAPT 300/4885KDM4E 4534/4885
US-11457629-B2 Heteroarylphenylaminoquinolines and analogues PIK3C3, CYP4X1, CYP1A2 ALDH1A1 1100/4885MAPT 3614/4885KDM4E 892/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 ALDH1A1 4707/4885MAPT 3621/4885KDM4E 1527/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 ALDH1A1 4707/4885MAPT 3621/4885KDM4E 1527/4885

“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.