SCHEMBL4031845

SCHEMBL4031845

Cc1cccc(-c2sc(N)nc2-c2ccc3ncccc3c2)n1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.68
MAPK14 Q16539 2/20 0.65
ADORA2A P29274 1/20 0.50
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
PRKD1 Q15139 1/20 0.47
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
DYRK1A Q13627 1/20 0.45

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
SCHEMBL5654268 0.91 TGFBR1 (0.79) TGFBR1MAPK14ADORA2APDGFRAFLT1
SCHEMBL4031482 0.88 TGFBR1 (0.53) TGFBR1MAPK14ADORA2APDGFRAFLT1
SCHEMBL4033864 0.88 TGFBR1 (0.82) TGFBR1MAPK14KDR
SCHEMBL5695704 0.85 TGFBR1 (0.62) TGFBR1MAPK14ADORA2ANPC1POLB
SCHEMBL373354 0.81 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL4033292 0.81 TGFBR1 (0.53) TGFBR1MAPK14ADORA2APDGFRAFLT1
SCHEMBL4032214 0.81 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL29527756 0.81 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL5695754 0.80 TGFBR1 (0.59) TGFBR1MAPK14DYRK1A
SCHEMBL12270009 0.79 NPC1 (0.62) TGFBR1MAPK14PDGFRAFLT1FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273936-B2 Oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2007-09-25 US claimed
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 1/4885MAPK14 319/4885ADORA2A 4349/4885

“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.