SCHEMBL742629

SCHEMBL742629

CCOC(=O)n1nc(NC(=O)c2ccc(F)cc2)c2cc(C(=O)N[C@H](CC)c3ccccc3)sc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.46
SLC6A9 P48067 1/20 0.45
PPARG P37231 3/20 0.44
TACR3 P29371 5/20 0.42
BRAF P15056 1/20 0.42
HDAC1 Q13547 4/20 0.41
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PTGER4 P35408 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL742246 0.90 AURKA (0.50) AURKABRAFKDM4E
SCHEMBL740404 0.88 AURKA (0.53) AURKAKDM4ELMNA
SCHEMBL739943 0.87 AURKA (0.54) AURKA
SCHEMBL740940 0.86 ALDH1A1 (0.44) AURKABRAFADORA3ADORA2AADORA1
SCHEMBL740278 0.86 KDM4E (0.43) AURKAKDM4ELMNA
SCHEMBL742843 0.85 LMNA (0.47) BRAFADORA3ADORA2AADORA1KDM4E
SCHEMBL4633164 0.83 ABL1 (0.44) AURKAPPARGBRAFADORA3ADORA2A
SCHEMBL4632612 0.83 ADORA2A (0.41) BRAFADORA3ADORA2AADORA1KDM4E
SCHEMBL741756 0.81 BRAF (0.39) BRAFADORA3ADORA2AADORA1KDM4E
SCHEMBL742845 0.81 AURKA (0.63) AURKAKDM4E

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 AURKA 349/4885SLC6A9 4707/4885PPARG 700/4885
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors MAP3K19, MAP3K1, MAP3K3 AURKA 340/4885SLC6A9 4717/4885PPARG 714/4885

“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.