SCHEMBL4029618

SCHEMBL4029618

Cc1cccc(-c2ncsc2-c2ccnc(Nc3ccccc3)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.42
KDR P35968 1/20 0.42
MAPK10 P53779 4/20 0.42
MAPK8 P45983 3/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
MAPK14 Q16539 3/20 0.41
MAPK13 O15264 1/20 0.41
EGFR P00533 1/20 0.41
MAPK12 P53778 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPK11 Q15759 1/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL5655770 0.91 EGFR (0.44) TGFBR1KDRMAPK10MAPK8CCNE1
SCHEMBL4034950 0.84 MAPK14 (0.49) TGFBR1KDRMAPK10MAPK8CCNE1
SCHEMBL4036011 0.83 TGFBR1 (0.63) TGFBR1KDRMAPK10MAPK8CCNE1
SCHEMBL4033475 0.80 MAPK14 (0.49) TGFBR1KDRMAPK10MAPK8CCNE1
SCHEMBL4035730 0.78 TGFBR1 (0.52) TGFBR1KDRMAPK10MAPK8CCNE1
SCHEMBL4030407 0.78 MAPK14 (0.42) TGFBR1KDRMAPK10MAPK8CCNE1
SCHEMBL4032576 0.78 MAPK14 (0.44) TGFBR1KDRMAPK10MAPK8CCNE1
SCHEMBL4030553 0.76 TGFBR1 (0.67) TGFBR1KDRMAPK14
SCHEMBL6831731 0.76 MAPK10 (0.53) KDRMAPK10MAPK8CDK2MAPK14
SCHEMBL4030453 0.76 MAPK14 (0.44) TGFBR1KDRMAPK10MAPK8CCNE1

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
EP-1542994-B1 NOVEL OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR PFIZER PROD INC (US) 2009-04-29 EP disclosed
US-7273936-B2 Oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2007-09-25 US disclosed
EP-1542994-A1 NOVEL TRIAZOLE AND OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR Pfizer Products Inc. (US) 2005-06-22 EP disclosed
US-20040110797-A1 Novel oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-06-10 US disclosed
WO-2004026863-A1 NOVEL OXAZOLE AND THIAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PRODUCTS INC. (US) 2004-04-01 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 (1 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-20040110797-A1 Novel oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors TGFBR1, TGFBR2, SMAD3 TGFBR1 1/4885KDR 293/4885MAPK10 979/4885

“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.