SCHEMBL4867649

SCHEMBL4867649

Cc1cccc(-c2nc3ccccn3c2-c2ccc3nnn(C)c3c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.39
SLC9A1 P19634 1/20 0.38
KEAP1 Q14145 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK14 Q16539 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
TGFBR2 P37173 1/20 0.36
MAP3K20 Q9NYL2 1/20 0.36
NR1I3 Q14994 4/20 0.35
BACE1 P56817 2/20 0.35
BACE2 Q9Y5Z0 2/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4860909 0.84 TGFBR1 (0.40) TGFBR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4866801 0.84 TGFBR1 (0.42) TGFBR1KDM4EALDH1A1MAPK14MAPT
SCHEMBL3092632 0.82 PTGS2 (0.42) TGFBR1MAPK14MAP3K20NR1I3
SCHEMBL4878226 0.81 TGFBR1 (0.59) TGFBR1MAPK14
SCHEMBL4859626 0.79 TGFBR1 (0.59) TGFBR1MAPK14NPC1RAB9APOLB
SCHEMBL4864322 0.78 TGFBR1 (0.40) TGFBR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4875633 0.77 PIK3CD (0.44) TGFBR1MAPK14
SCHEMBL23408260 0.76 TGFBR1 (0.43) TGFBR1KDM4EMAPK14NPC1MAPT
SCHEMBL29796648 0.76 KDM4E (0.43) TGFBR1KDM4EMAPK14NPC1MAPT
SCHEMBL23389738 0.76 KDM4E (0.43) TGFBR1KDM4EMAPK14NPC1MAPT

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 9 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 claimed
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 TGFBR1 1/4885SLC9A1 4302/4885KEAP1 142/4885
US-20040176390-A1 Novel fused heteroaromatic compounds as transforming growth factor (TGF) inhibitors SMAD3, TGFBR1, SMAD2 TGFBR1 2/4885SLC9A1 4425/4885KEAP1 124/4885

“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.