SCHEMBL452756

SCHEMBL452756

Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NCc2ccccn2)c1=O

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.80
RPS6KA5 O75582 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAPKAPK2 P49137 1/20 0.58
KCNH2 Q12809 1/20 0.58
MAPK11 Q15759 1/20 0.58

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
SCHEMBL448012 0.92 MAPK14 (0.81) MAPK14RPS6KA5CYP3A4MAPKAPK2KCNH2
SCHEMBL447903 0.89 MAPK14 (1.00) MAPK14
SCHEMBL448204 0.88 MAPK14 (0.82) MAPK14RPS6KA5CYP3A4MAPKAPK2KCNH2
SCHEMBL448394 0.87 MAPK14 (0.80) MAPK14RPS6KA5CYP3A4MAPKAPK2KCNH2
SCHEMBL450174 0.86 MAPK14 (0.88) MAPK14
SCHEMBL438814 0.86 MAPK14 (0.79) MAPK14RPS6KA5CYP3A4MAPKAPK2KCNH2
SCHEMBL437967 0.86 MAPK14 (0.79) MAPK14RPS6KA5CYP3A4MAPKAPK2KCNH2
SCHEMBL27813618 0.86 MAPK14 (0.79) MAPK14RPS6KA5CYP3A4MAPKAPK2KCNH2
SCHEMBL448006 0.85 MAPK14 (0.86) MAPK14
SCHEMBL453362 0.85 MAPK14 (0.83) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-02-11 US disclosed
EP-3418276-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2018-12-26 EP disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-9067931-B2 2-heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-20150073136-A1 PYRAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-20140350008-A1 2-HETEROARYL CARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 US disclosed
US-8889692-B2 Pyrazinone derivatives, pharmaceutically acceptance salts thereof and their uses ASTRAZENECA AB (SE) 2014-11-18 US disclosed
EP-2170848-B1 PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES ASTRAZENECA AB (SE) 2014-10-22 EP disclosed
EP-2435046-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMA CO LTD (JP) 2013-09-04 EP disclosed
CN-101842361-B Pyrazinone derivatives and their use in the treatment of lung diseases ASTRAZENECA AB 2013-06-05 CN disclosed
WO-2010115758-A2 FUNGICIDAL COMPOUNDS BASF SE (DE) 2010-10-14 WO disclosed
CN-101842361-A Pyrazinone derivatives and their use in the treatment of lung diseases ASTRAZENECA AB 2010-09-22 CN disclosed
US-20100105731-A2 NOVEL BENZAMIDINE COMPOUND AJINOMOTO CO., INC. (JP) 2010-04-29 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080021065-A1 NOVEL BENZAMIDINE COMPOUND AJINOMOTO CO. INC (JP) 2008-01-24 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1847527-A1 NOVEL BENZAMIDINE COMPOUND Ajinomoto Co., Inc. (JP) 2007-10-24 EP disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
US-20060160877-A1 2-Heteroaryl carboxamides BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-20 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 (8 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-20100105731-A2 NOVEL BENZAMIDINE COMPOUND SERPINC1, F11, TFPI MAPK14 171/4885RPS6KA5 2784/4885CYP3A4 1674/4885
US-20140350008-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C MAPK14 1851/4885RPS6KA5 2469/4885CYP3A4 1069/4885
US-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI MAPK14 1233/4885RPS6KA5 2244/4885CYP3A4 3582/4885
US-20060160877-A1 2-Heteroaryl carboxamides GRIN2A, CNR2, GRIN2C MAPK14 1851/4885RPS6KA5 2469/4885CYP3A4 1069/4885
US-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 MAPK14 3325/4885RPS6KA5 54/4885CYP3A4 2/4885
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND CYP2F1, CYP21A2, CYP11B1 MAPK14 480/4885RPS6KA5 1846/4885CYP3A4 68/4885
US-20080021065-A1 NOVEL BENZAMIDINE COMPOUND SERPINC1, F11, TFPI MAPK14 171/4885RPS6KA5 2784/4885CYP3A4 1674/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 MAPK14 2689/4885RPS6KA5 2858/4885CYP3A4 233/4885

“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.