SCHEMBL4034950

SCHEMBL4034950

Cc1cccc(-c2nc(C)sc2-c2ccnc(Nc3ccccc3)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.49
TGFBR1 P36897 7/20 0.48
CDK2 P24941 2/20 0.45
CDK4 P11802 2/20 0.45
MAPK13 O15264 1/20 0.44
EGFR P00533 1/20 0.44
MAPK12 P53778 1/20 0.44
KCNH2 Q12809 1/20 0.44
MAPK11 Q15759 1/20 0.44
KDR P35968 1/20 0.42
MAPK8 P45983 3/20 0.42
MAPK10 P53779 3/20 0.42
CCNE1 P24864 1/20 0.42
TRPV4 Q9HBA0 2/20 0.40
MAPK9 P45984 1/20 0.39
PRKD1 Q15139 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
NR2F2 P24468 1/20 0.39

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
SCHEMBL4033475 0.91 MAPK14 (0.49) MAPK14TGFBR1CDK2CDK4MAPK13
SCHEMBL4036011 0.89 TGFBR1 (0.63) MAPK14TGFBR1CDK2MAPK13EGFR
SCHEMBL4029618 0.84 TGFBR1 (0.42) MAPK14TGFBR1CDK2MAPK13EGFR
SCHEMBL4035730 0.81 TGFBR1 (0.52) MAPK14TGFBR1CDK2CDK4MAPK13
SCHEMBL5655770 0.80 EGFR (0.44) MAPK14TGFBR1CDK2CDK4MAPK13
SCHEMBL4030407 0.78 MAPK14 (0.42) MAPK14TGFBR1CDK2MAPK13EGFR
SCHEMBL4032576 0.78 MAPK14 (0.44) MAPK14TGFBR1CDK2MAPK13EGFR
SCHEMBL4035486 0.76 TGFBR1 (0.78) MAPK14TGFBR1KDRPRKD1
SCHEMBL6831731 0.76 MAPK10 (0.53) MAPK14CDK2MAPK13EGFRMAPK12
SCHEMBL4030453 0.76 MAPK14 (0.44) MAPK14TGFBR1CDK2MAPK13EGFR

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 MAPK14 319/4885TGFBR1 1/4885CDK2 357/4885

“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.