SCHEMBL4866801

SCHEMBL4866801

Cc1cccc(-c2nc3ncccn3c2-c2ccc3nnn(C)c3c2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.42
MAPK14 Q16539 2/20 0.39
ROCK2 O75116 1/20 0.37
PIM1 P11309 1/20 0.37
GSK3B P49841 1/20 0.37
KLK7 P49862 1/20 0.36
TGFBR2 P37173 1/20 0.36
MAP3K20 Q9NYL2 1/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
MAPT P10636 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
SCHEMBL4860180 0.92 TGFBR1 (0.39) TGFBR1ROCK2PIM1GSK3BKLK7
SCHEMBL4860883 0.85 TGFBR1 (0.43) TGFBR1MAPK14ROCK2PIM1GSK3B
SCHEMBL4860838 0.85 TGFBR1 (0.48) TGFBR1MAPK14ROCK2PIM1GSK3B
SCHEMBL4867649 0.84 TGFBR1 (0.39) TGFBR1MAPK14TGFBR2MAP3K20GAA
SCHEMBL4865043 0.83 TGFBR1 (0.59) TGFBR1MAPK14
SCHEMBL4860181 0.82 TGFBR1 (0.60) TGFBR1MAPK14ROCK2PIM1GSK3B
SCHEMBL30855629 0.81 TGFBR1 (0.45) TGFBR1MAPK14ROCK2PIM1GSK3B
SCHEMBL30855657 0.81 TGFBR1 (0.51) TGFBR1MAPK14ROCK2PIM1GSK3B
SCHEMBL3092632 0.80 PTGS2 (0.42) TGFBR1MAPK14PIM1GSK3BMAP3K20
SCHEMBL4864998 0.79 TGFBR1 (0.47) TGFBR1MAPK14ROCK2PIM1GSK3B

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 10 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
US-7417041-B2 Imidazopyrimidines as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2008-08-26 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 1/4885MAPK14 1127/4885ROCK2 1028/4885
US-20040176390-A1 Novel fused heteroaromatic compounds as transforming growth factor (TGF) inhibitors SMAD3, TGFBR1, SMAD2 TGFBR1 2/4885MAPK14 1223/4885ROCK2 1147/4885

“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.