SCHEMBL742371

SCHEMBL742371

CC[C@@H](NC(=O)c1cc2c(NC(=O)c3cccs3)n[nH]c2s1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.50
TACR3 P29371 4/20 0.43
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TSHR P16473 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL740552 0.86 AURKA (0.55) AURKAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL742091 0.85 AURKA (0.54) AURKAALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL741931 0.84 AURKA (0.55) AURKATACR3
SCHEMBL740558 0.84 AURKA (0.59) AURKAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL4632698 0.81 SMN1; SMN2 (0.49) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL739691 0.81 AURKA (0.78) AURKA
SCHEMBL3104551 0.81 AURKA (0.78) AURKA
SCHEMBL12895653 0.80 ABL1 (0.45) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2418622 0.80 KDR (0.53) AURKAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL740053 0.80 MAPT (0.41) AURKAALDH1A1MAPTSMN1; SMN2NPC1

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
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
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 349/4885TACR3 3760/4885ALDH1A1 1584/4885
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors MAP3K19, MAP3K1, MAP3K3 AURKA 340/4885TACR3 3782/4885ALDH1A1 1516/4885

“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.