SCHEMBL739474

SCHEMBL739474

O=C(Nc1n[nH]c2sc(C(=O)N[C@H](CN3CCCC3)c3ccccc3)cc12)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.61
CDC7 O00311 2/20 0.61
PAK4 O96013 2/20 0.61
PRKACA P17612 2/20 0.61
JAK3 P52333 2/20 0.61
CHEK1 O14757 1/20 0.61
JAK2 O60674 1/20 0.61
NTRK1 P04629 1/20 0.61
PRKCB P05771 1/20 0.61
INSR P06213 1/20 0.61
RET P07949 1/20 0.61
KIT P10721 1/20 0.61
FGFR1 P11362 1/20 0.61
FLT4 P35916 1/20 0.61
KDR P35968 1/20 0.61
PDK1 Q15118 1/20 0.61
AURKB Q96GD4 1/20 0.61
STK26 Q9P289 1/20 0.61
AURKC Q9UQB9 1/20 0.61
ROCK2 O75116 5/20 0.44

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
SCHEMBL740801 0.99 AURKA (0.60) AURKACDC7PAK4PRKACAJAK3
SCHEMBL739912 0.93 AURKA (0.66) AURKACDC7PAK4PRKACAJAK3
SCHEMBL740790 0.88 AURKA (0.78) AURKACDC7PAK4PRKACAJAK3
SCHEMBL742866 0.88 AURKA (0.79) AURKACDC7PAK4PRKACAJAK3
SCHEMBL741931 0.86 AURKA (0.55) AURKACDC7PAK4PRKACAJAK3
SCHEMBL740552 0.86 AURKA (0.55) AURKACDC7PAK4PRKACAJAK3
SCHEMBL742091 0.85 AURKA (0.54) AURKACDC7PAK4PRKACAJAK3
SCHEMBL742869 0.85 AURKA (0.78) AURKACDC7PAK4PRKACAJAK3
SCHEMBL741347 0.83 AURKA (0.62) AURKACDC7PAK4PRKACAJAK3
SCHEMBL739860 0.82 AURKA (0.79) AURKACDC7PAK4PRKACAJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1711177-B1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 EP claimed
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-08-25 US claimed
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
EP-1711177-A1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS Pfizer Italia S.r.l. (IT) 2006-10-18 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
WO-2005074922-A1 1H-THIENO[2,3-c]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS PFIZER ITALIA S.R.L. (IT) 2005-08-18 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 (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 349/4885CDC7 333/4885PAK4 79/4885
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors MAP3K19, MAP3K1, MAP3K3 AURKA 340/4885CDC7 332/4885PAK4 82/4885

“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.