SCHEMBL1778700

SCHEMBL1778700

Cc1cc(C#N)c2ccccn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.49
ALDH1A1 P00352 10/20 0.49
GAA P10253 8/20 0.49
GLA P06280 6/20 0.49
HPGD P15428 6/20 0.49
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HTT P42858 3/20 0.41
MAPT P10636 2/20 0.41
NCOA3 Q9Y6Q9 2/20 0.41
MAPK1 P28482 2/20 0.41
PABPC1 P11940 1/20 0.41
CASP3 P42574 1/20 0.41
NCOA1 Q15788 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
IMPDH2 P12268 1/20 0.41

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
SCHEMBL27746851 0.78 ALDH1A1 (0.41) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL7441083 0.77 ALDH1A1 (0.42) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL2317400 0.76 IMPDH2 (0.38) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL27767828 0.75 MAOA (0.46) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL8404415 0.74 KDM4E (0.43) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL26137726 0.74 KDM4E (0.37) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL17339134 0.73 FNTA (0.48) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL27897608 0.73 KDM4E (0.38) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL17339104 0.72 KDM4E (0.52) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL7590161 0.72 ALDH1A1 (0.38) KDM4EALDH1A1GAAGLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111892579-B Kinase inhibitors 上海艾力斯医药科技股份有限公司 2023-07-25 CN disclosed
CN-111875585-B Kinase inhibitors 上海艾力斯医药科技股份有限公司 2023-06-23 CN disclosed
CN-111892579-A Kinase inhibitor 上海复尚慧创医药研究有限公司 2020-11-06 CN disclosed
CN-111875585-A Kinase inhibitor 上海复尚慧创医药研究有限公司 2020-11-03 CN disclosed
CN-106660993-B Kinase inhibitor 上海复尚慧创医药研究有限公司 2020-09-11 CN disclosed
CN-106660993-A Kinase inhibitor 上海复尚慧创医药研究有限公司 2017-05-10 CN disclosed
US-9643969-B2 (aza)indolizine derivative and pharmaceutical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2017-05-09 US disclosed
US-9371282-B2 Somatostatin receptor subtype 4 (SSTR4) agonists CENTREXION THERAPEUTICS CORPORATION (US) 2016-06-21 US disclosed
WO-2015188777-A1 CERTAIN PROTEIN KINASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2015-12-17 WO disclosed
US-20140343065-A1 New Somatostatin receptor subtype 4 (SSTR4) agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
CN-1615873-A Azaindoles compound AVENTIS PHARMA LTD (GB) 2005-05-18 CN disclosed
US-20040198737-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-10-07 US disclosed
US-6770643-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-08-03 US disclosed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US disclosed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP disclosed
US-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 US disclosed
CN-1413213-A Azaindoles AVENTIS PHARMA LTD (GB) 2003-04-23 CN disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO disclosed
EP-1263759-A2 AZAINDOLES Aventis Pharma Limited (GB) 2002-12-11 EP disclosed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 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 (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-20040198737-A1 Azaindoles CCNY, CCNO, CNKSR1 KDM4E 921/4885ALDH1A1 4397/4885GAA 4362/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 KDM4E 709/4885ALDH1A1 939/4885GAA 1203/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 KDM4E 1192/4885ALDH1A1 4673/4885GAA 4384/4885
US-20140343065-A1 New Somatostatin receptor subtype 4 (SSTR4) agonists SSTR4, SSTR3, SSTR1 KDM4E 2413/4885ALDH1A1 2901/4885GAA 2489/4885

“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.