SCHEMBL4868431

SCHEMBL4868431

Cc1cccc(-c2nc3sccn3c2-c2ccc3nccnc3c2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.57
MAPK14 Q16539 2/20 0.53
MTOR P42345 1/20 0.46
PTGS2 P35354 4/20 0.45
PTGS1 P23219 2/20 0.45
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
FGFR1 P11362 1/20 0.41
FRK P42685 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
GSK3B P49841 1/20 0.41
CSNK1G2 P78368 1/20 0.41
PRKCD Q05655 1/20 0.41
ERBB4 Q15303 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41
CSNK1G1 Q9HCP0 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
SCHEMBL4865015 0.89 TGFBR1 (0.57) TGFBR1MAPK14PTGS2PTGS1
SCHEMBL4857759 0.86 PTGS2 (0.44) TGFBR1MAPK14PTGS2PTGS1PRKD3
SCHEMBL4865060 0.83 TGFBR1 (0.54) TGFBR1MAPK14PTGS2PTGS1
SCHEMBL4868724 0.83 TGFBR1 (0.42) TGFBR1MAPK14PTGS2PTGS1PRKD3
SCHEMBL3092632 0.81 PTGS2 (0.42) TGFBR1MAPK14PTGS2PTGS1PRKD3
SCHEMBL4857758 0.80 TGFBR1 (0.56) TGFBR1MAPK14MTOR
SCHEMBL4865043 0.80 TGFBR1 (0.59) TGFBR1MAPK14MTOR
SCHEMBL4878226 0.80 TGFBR1 (0.59) TGFBR1MAPK14MTOR
SCHEMBL3085480 0.80 PTGS2 (0.44) TGFBR1PTGS2PTGS1PRKD3MAP4K4
SCHEMBL4867900 0.77 TGFBR1 (0.56) TGFBR1MAPK14MTOR

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 TGFBR1 1/4885MAPK14 1127/4885MTOR 162/4885
US-20040176390-A1 Novel fused heteroaromatic compounds as transforming growth factor (TGF) inhibitors SMAD3, TGFBR1, SMAD2 TGFBR1 2/4885MAPK14 1223/4885MTOR 201/4885

“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.