SCHEMBL4632686

SCHEMBL4632686

O=C(Nc1n[nH]c2sc(C(=O)O)cc12)c1ccc(N2CCS(=O)(=O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.47
KDM4E B2RXH2 1/20 0.47
KIT P10721 3/20 0.46
FLT3 P36888 2/20 0.46
ALDH1A1 P00352 1/20 0.44
NTRK1 P04629 2/20 0.43
FGFR1 P11362 1/20 0.43
KDR P35968 1/20 0.43
INSR P06213 1/20 0.43
IGF1R P08069 1/20 0.43
AURKB Q96GD4 1/20 0.43
ALK Q9UM73 1/20 0.43

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
SCHEMBL741230 0.89 AURKA (0.59) AURKAKITFLT3NTRK1FGFR1
Hydrochloric Acid SCHEMBL740993 0.88 AURKA (0.58) AURKAKITFLT3NTRK1FGFR1
SCHEMBL2437004 0.88 AURKA (0.55) AURKAKITFLT3NTRK1FGFR1
SCHEMBL4633237 0.87 KIT (0.47) AURKAKDM4EKITFLT3ALDH1A1
SCHEMBL742913 0.85 AURKA (0.65) AURKAKITFLT3
SCHEMBL3865863 0.82 AURKA (0.56) AURKAKITFLT3
SCHEMBL3819108 0.80 AURKA (0.61) AURKAKITFLT3NTRK1FGFR1
SCHEMBL3089944 0.80 FGFR1 (0.50) AURKAFGFR1
SCHEMBL4632667 0.79 KMO (0.51) AURKAKITFLT3NTRK1FGFR1
SCHEMBL4631745 0.79 HDAC6 (0.51) FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711177-B1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 EP claimed
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 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
WO-2005074922-A1 1H-THIENO[2,3-c]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS PFIZER ITALIA S.R.L. (IT) 2005-08-18 WO 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
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 349/4885KDM4E 1435/4885KIT 795/4885
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors MAP3K19, MAP3K1, MAP3K3 AURKA 340/4885KDM4E 1432/4885KIT 795/4885

“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.