SCHEMBL742604

SCHEMBL742604

CCOC(=O)n1nc(NC(=O)c2ccco2)c2cc(C(=O)OC(C)(C)C)sc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.46
ALDH1A1 P00352 13/20 0.46
RAB9A P51151 4/20 0.46
PHGDH O43175 1/20 0.45
HSD17B10 Q99714 6/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
USP2 O75604 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 8/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
MAPK1 P28482 3/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
ATM Q13315 2/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL1780033 0.93 KDM4E (0.44) KDM4EALDH1A1RAB9APHGDHHSD17B10
SCHEMBL739402 0.89 KDM4E (0.46) KDM4EALDH1A1RAB9APHGDHHSD17B10
SCHEMBL1781437 0.86 BTK (0.45) KDM4EALDH1A1RAB9AHSD17B10MAPT
SCHEMBL740838 0.85 KDM4E (0.42) KDM4EALDH1A1RAB9APHGDHHSD17B10
SCHEMBL742599 0.84 KDM4E (0.46) KDM4EALDH1A1RAB9AHSD17B10MAPT
SCHEMBL741773 0.82 KDM4E (0.39) KDM4EALDH1A1RAB9AHSD17B10MAPT
SCHEMBL1777784 0.82 KDM4E (0.41) KDM4EALDH1A1HSD17B10MAPTSMN1; SMN2
SCHEMBL741049 0.82 PDE7A (0.37) KDM4EALDH1A1RAB9AHSD17B10MAPT
SCHEMBL1779425 0.82 MAPK1 (0.46) KDM4EALDH1A1RAB9AHSD17B10MAPT
SCHEMBL742441 0.82 ADORA2A (0.46) KDM4EALDH1A1MAPTTP53HPGD

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 7 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
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 KDM4E 1435/4885ALDH1A1 1584/4885RAB9A 1055/4885
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors MAP3K19, MAP3K1, MAP3K3 KDM4E 1432/4885ALDH1A1 1516/4885RAB9A 1039/4885

“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.