SCHEMBL4868262

SCHEMBL4868262

Cc1cccc(-c2nc3sccn3c2-c2ccc3nn(C)nc3n2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.37
PTGS1 P23219 2/20 0.37
TGFBR1 P36897 5/20 0.36
IDO1 P14902 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CSF1R P07333 2/20 0.34
RET P07949 2/20 0.34
FLT1 P17948 2/20 0.34
KDR P35968 2/20 0.34
MAP4K2 Q12851 2/20 0.34
STK3 Q13188 2/20 0.34
MAP4K5 Q9Y4K4 2/20 0.34
MAP4K4 O95819 1/20 0.34
LCK P06239 1/20 0.34
LRRK2 Q5S007 1/20 0.34
TAOK1 Q7L7X3 1/20 0.34
EGFR P00533 3/20 0.33
ERBB2 P04626 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL4857759 0.83 PTGS2 (0.44) PTGS2PTGS1TGFBR1KDRMAP4K2
SCHEMBL4866974 0.81 TGFBR1 (0.38) TGFBR1ADORA2AADORA1
SCHEMBL4866956 0.81 TGFBR1 (0.38) TGFBR1ADORA2AADORA1
SCHEMBL4865060 0.81 TGFBR1 (0.54) PTGS2PTGS1TGFBR1
SCHEMBL4866897 0.80 PTGS2 (0.39) PTGS2PTGS1TGFBR1IDO1ADORA2A
SCHEMBL23389951 0.76 TGFBR1 (0.38) PTGS2PTGS1TGFBR1CSF1RRET
SCHEMBL29796383 0.76 TGFBR1 (0.38) PTGS2PTGS1TGFBR1CSF1RRET
SCHEMBL3092632 0.74 PTGS2 (0.42) PTGS2PTGS1TGFBR1KDRMAP4K2
SCHEMBL4868431 0.73 TGFBR1 (0.57) PTGS2PTGS1TGFBR1MAP4K4ERBB4
SCHEMBL4865015 0.72 TGFBR1 (0.57) PTGS2PTGS1TGFBR1FLT1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601676-A2 FUSED IMIDAZOLES AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS Pfizer Products Inc. (US) 2005-12-07 EP claimed
WO-2004078110-A2 FUSED IMIZADOLES AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PRODUCTS INC. (US) 2004-09-16 WO claimed
US-20040176390-A1 Novel fused heteroaromatic compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-09-09 US claimed
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
EP-1601676-A2 FUSED IMIDAZOLES AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS Pfizer Products Inc. (US) 2005-12-07 EP disclosed
WO-2004078110-A2 FUSED IMIZADOLES AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PRODUCTS INC. (US) 2004-09-16 WO 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 PTGS2 687/4885PTGS1 375/4885TGFBR1 1/4885
US-20040176390-A1 Novel fused heteroaromatic compounds as transforming growth factor (TGF) inhibitors SMAD3, TGFBR1, SMAD2 PTGS2 652/4885PTGS1 336/4885TGFBR1 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.