SCHEMBL4864402

SCHEMBL4864402

Cc1ccn2c(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.58
MAPK14 Q16539 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MITF O75030 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4859626 0.88 TGFBR1 (0.59) TGFBR1MAPK14NPC1POLBRAB9A
SCHEMBL4859590 0.86 TGFBR1 (0.57) TGFBR1MAPK14NPC1POLBRAB9A
SCHEMBL4867370 0.85 TGFBR1 (0.58) TGFBR1MAPK14ALDH1A1
SCHEMBL4868497 0.85 TGFBR1 (0.60) TGFBR1MAPK14NPC1POLBRAB9A
SCHEMBL4860181 0.83 TGFBR1 (0.60) TGFBR1MAPK14NPC1POLBRAB9A
SCHEMBL4866086 0.81 TGFBR1 (0.56) TGFBR1MAPK14
SCHEMBL4864453 0.81 TGFBR1 (0.56) TGFBR1MAPK14
SCHEMBL4860173 0.81 TGFBR1 (0.58) TGFBR1MAPK14GAATDP1NPC1
SCHEMBL5787113 0.81 GAA (0.41) TGFBR1MAPK14ALDH1A1MITFGAA
SCHEMBL4860154 0.81 TGFBR1 (0.56) TGFBR1MAPK14NPC1POLBRAB9A

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 TGFBR1 1/4885MAPK14 1127/4885ALDH1A1 1680/4885
US-20040176390-A1 Novel fused heteroaromatic compounds as transforming growth factor (TGF) inhibitors SMAD3, TGFBR1, SMAD2 TGFBR1 2/4885MAPK14 1223/4885ALDH1A1 1547/4885

“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.