SCHEMBL249470

SCHEMBL249470

COC(=O)c1ccncn1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.56
MAPK1 P28482 3/20 0.52
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
GRM4 Q14833 2/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
FAAH O00519 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BRD4 O60885 1/20 0.40
BRPF1 P55201 1/20 0.40
CYP46A1 Q9Y6A2 1/20 0.39
PKM P14618 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
SCHEMBL29947435 1.00 P2RX7 (0.56) P2RX7MAPK1CTNNB1WNT3AGRM4
Hydrochloric Acid SCHEMBL28392257 0.98 P2RX7 (0.55) P2RX7MAPK1CTNNB1WNT3AGRM4
Formic Acid SCHEMBL15822388 0.93 P2RX7 (0.50) P2RX7MAPK1CTNNB1WNT3AGRM4
SCHEMBL28281561 0.87 P2RX7 (0.53) P2RX7MAPK1CTNNB1WNT3AGRM4
SCHEMBL29112193 0.83 KDM4E (0.50) P2RX7MAPK1KDM4EALDH1A1POLB
SCHEMBL30629294 0.82 P2RX7 (0.44) P2RX7MAPK1CTNNB1WNT3AGRM4
SCHEMBL11881388 0.81 P2RX7 (0.49) P2RX7MAPK1CTNNB1WNT3AGRM4
SCHEMBL1478698 0.80 P2RX7 (0.52) P2RX7CTNNB1WNT3AGRM4FAAH
SCHEMBL28179627 0.80 P2RX7 (0.56) P2RX7CTNNB1WNT3AGRM4FAAH
SCHEMBL23293557 0.79 P2RX7 (0.47) P2RX7MAPK1CTNNB1WNT3AGRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109561682-A Pyridine compounds and their comprising isoxazoline ring and its purposes as herbicide 牧牛研究所株式会社 2019-04-02 CN claimed
CN-106810538-A A kind of preparation method of 2 pyrrole radicals pyrimidine derivatives 湖南华腾制药有限公司 2017-06-09 CN claimed
CN-104327084-B The small molecule myristate inhibitors and its application method of BCR ABL 达那-法伯癌症研究所 2017-06-06 CN claimed
CN-103827117-B Tetrahydrochysene triazolopyrimidine derivative as people's inhibitors of neutrophil elastase 奇斯药制品公司 2016-08-24 CN claimed
CN-102858773-B Pyrimidine derivatives and their use in the treatment of respiratory diseases such as COPD CHIESI FARMA SPA 2015-05-06 CN 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
WO-2012109075-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2012-08-16 WO claimed
WO-2010146031-A2 FUNGICIDAL MIXTURES BASF SE (DE) 2010-12-23 WO claimed
CN-101917849-A Small molecule myristate inhibitors of BCR-ABL and methods of use thereof DANA FARBER CANCER INST INC 2010-12-15 CN claimed
CN-101351467-A 3- (substituted amino) -pyrazolo [3, 4-d ] pyrimidines as EphB and VEGFR2 kinase inhibitors NOVARTIS AG (CH) 2009-01-21 CN claimed
CN-101305000-A 5-oxo-5,8-dihydro-pyrido-pyrimidines as inhibitors of C-FMS kinase JANSSEN PHARMACEUTICA NV (BE) 2008-11-12 CN claimed
CN-101300258-A 5-OXO-5,8-dihydro-pyrido-pyrimidines as inhibitors of C-FMS kinase JANSSEN PHARMACEUTICA NV (BE) 2008-11-05 CN claimed
CN-1738806-A Oxo-azabicyclic compounds WARNER LAMBERT CO (US) 2006-02-22 CN claimed
CN-1349535-A Bicyclic heteroaromatic compounds useful as LH agonists AKZO NOBEL NV (NL) 2002-05-15 CN claimed
US-20250243177-A1 sGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2025-07-31 US disclosed
CN-119528915-A Compounds for inhibiting apoptosis and methods of making the same 中国科学院上海有机化学研究所 2025-02-28 CN disclosed
US-4138487-A NEMATOCIDES RHONE-POULENC INDUSTRIES (FR) 1979-02-06 US disclosed
US-4110450-A BILHARZIASIS RHONE-POULENC INDUSTRIES (FR) 1978-08-29 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 (2 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-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 P2RX7 3830/4885MAPK1 97/4885CTNNB1 2533/4885
US-20250243177-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 P2RX7 2015/4885MAPK1 684/4885CTNNB1 4684/4885

“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.