SCHEMBL4859601

SCHEMBL4859601

Cc1cccc(-c2nc3nc(N)ccn3c2-c2ccc3ncncc3c2)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.44
MAPK13 O15264 7/20 0.44
MAPK12 P53778 7/20 0.44
MAPK11 Q15759 7/20 0.44
TGFBR1 P36897 10/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
KDR P35968 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
SCHEMBL4866086 0.86 TGFBR1 (0.56) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL4864998 0.86 TGFBR1 (0.47) MAPK14TGFBR1PIK3CDPIK3CA
SCHEMBL4867900 0.84 TGFBR1 (0.56) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL4860157 0.81 TGFBR1 (0.43) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL4875633 0.81 PIK3CD (0.44) MAPK14TGFBR1PIK3CDPIK3CAEGFR
SCHEMBL4860805 0.80 TGFBR1 (0.57) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL4868724 0.79 TGFBR1 (0.42) MAPK14TGFBR1PIK3CDPIK3CAKDR
SCHEMBL4863569 0.79 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL4857740 0.78 TGFBR1 (0.39) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL412821 0.78 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11TGFBR1

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 MAPK14 1127/4885MAPK13 770/4885MAPK12 1019/4885
US-20040176390-A1 Novel fused heteroaromatic compounds as transforming growth factor (TGF) inhibitors SMAD3, TGFBR1, SMAD2 MAPK14 1223/4885MAPK13 953/4885MAPK12 1241/4885

“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.