SCHEMBL741756

SCHEMBL741756

CCOC(=O)n1nc(NC(=O)c2ccc(F)cc2)c2cc(C(=O)NC3(c4ccccc4)CC3)sc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.39
ADORA2A P29274 3/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA1 P30542 2/20 0.38
HSD17B13 Q7Z5P4 1/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C8 P10632 1/20 0.37
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
PDE7A Q13946 1/20 0.36
HPGD P15428 1/20 0.36
DGAT2 Q96PD7 1/20 0.36

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
SCHEMBL740605 0.97 BRAF (0.38) BRAFADORA2AADORA3ADORA1HSD17B13
SCHEMBL739492 0.91 PTGER4 (0.38) KDM4EKMT2AALDH1A1MEN1GAA
SCHEMBL743002 0.88 AURKA (0.43) KDM4ELMNAALDH1A1MAPTPDE7A
SCHEMBL742170 0.86 HDAC1 (0.41) KDM4EALDH1A1MAPT
SCHEMBL741636 0.86 KDM4E (0.42) KDM4ELMNAKMT2AALDH1A1MEN1
SCHEMBL740373 0.85 FLT3 (0.43) KDM4EKMT2AALDH1A1MEN1GAA
SCHEMBL742840 0.85 KDM4E (0.41) ADORA2AADORA3ADORA1KDM4EKMT2A
SCHEMBL739674 0.85 ALDH1A1 (0.36) KDM4EKMT2AALDH1A1MEN1GAA
SCHEMBL742843 0.84 LMNA (0.47) BRAFADORA2AADORA3ADORA1KDM4E
SCHEMBL4633164 0.82 ABL1 (0.44) BRAFADORA2AADORA3ADORA1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481584-B2 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-07-09 US disclosed
US-20120165311-A1 1H-THIENO[2,3-C]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-28 US disclosed
US-8138217-B2 Aurora kinase inhibitors; proliferative disorders; anticancer agents; antitumor agents; N-(1-methyl-1-phenylethyl)-3-((4-morpholin-4-ylbenzoyl)amino)-1H-thieno(2,3-c)pyrazole-5-carboxamide NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-03-20 US disclosed
EP-1711177-B1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 EP disclosed
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-08-25 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-20120165311-A1 1H-THIENO[2,3-C]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K3 BRAF 24/4885ADORA2A 2399/4885ADORA3 1884/4885
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors MAP3K19, MAP3K1, MAP3K3 BRAF 26/4885ADORA2A 2466/4885ADORA3 1948/4885

“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.