SCHEMBL4875633

SCHEMBL4875633

Cc1cccc(-c2nc3ccccn3c2-c2ccc3ncncc3c2)n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
TGFBR1 P36897 17/20 0.43
MAPK14 Q16539 1/20 0.39
TDO2 P48775 1/20 0.37
EGFR P00533 1/20 0.36

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
SCHEMBL4859626 0.85 TGFBR1 (0.59) PIK3CATGFBR1MAPK14
SCHEMBL4864998 0.84 TGFBR1 (0.47) PIK3CDPIK3CATGFBR1MAPK14
SCHEMBL29796648 0.84 KDM4E (0.43) TGFBR1MAPK14
SCHEMBL23389738 0.84 KDM4E (0.43) TGFBR1MAPK14
SCHEMBL23408260 0.84 TGFBR1 (0.43) TGFBR1MAPK14
SCHEMBL4878226 0.83 TGFBR1 (0.59) TGFBR1MAPK14
SCHEMBL4868724 0.82 TGFBR1 (0.42) PIK3CDPIK3CATGFBR1MAPK14EGFR
SCHEMBL25084975 0.81 TGFBR1 (0.42) TGFBR1MAPK14
SCHEMBL4859601 0.81 MAPK14 (0.44) PIK3CDPIK3CATGFBR1MAPK14EGFR
SCHEMBL25084720 0.79 CHRNB2 (0.47) TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275235-A1 NOVEL FUSED HETEROAROMATIC COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER INC. (US) 2008-11-06 US disclosed
US-7417041-B2 Imidazopyrimidines as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2008-08-26 US disclosed
US-20040176390-A1 Novel fused heteroaromatic compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-09-09 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-20080275235-A1 NOVEL FUSED HETEROAROMATIC COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS TGFBR1, SMAD3, SMAD2 PIK3CD 734/4885PIK3CA 823/4885TGFBR1 1/4885
US-20040176390-A1 Novel fused heteroaromatic compounds as transforming growth factor (TGF) inhibitors SMAD3, TGFBR1, SMAD2 PIK3CD 641/4885PIK3CA 812/4885TGFBR1 2/4885

“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.