SCHEMBL4863221

SCHEMBL4863221

Cc1cccc(-c2nc3ncccn3c2-c2ccncc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.43
ROCK2 O75116 1/20 0.42
PIM1 P11309 1/20 0.42
GSK3B P49841 1/20 0.42
TGFBR1 P36897 7/20 0.41
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
GAA P10253 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 3/20 0.40
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL4863569 0.82 MAPK14 (0.59) TGFBR1AKT1AKT2CYP2A6MAPK13
SCHEMBL4865043 0.82 TGFBR1 (0.59) TGFBR1MAPK14
SCHEMBL4860181 0.81 TGFBR1 (0.60) ROCK2PIM1GSK3BTGFBR1RAB9A
SCHEMBL4863474 0.81 CDK4 (0.43) TGFBR1AKT1AKT2GAAKDM4E
SCHEMBL22228602 0.80 TGFBR1 (0.44) ROCK2PIM1GSK3BTGFBR1GAA
SCHEMBL4864998 0.80 TGFBR1 (0.47) ROCK2PIM1GSK3BTGFBR1GAA
SCHEMBL4860838 0.79 TGFBR1 (0.48) ROCK2PIM1GSK3BTGFBR1GAA
SCHEMBL30855657 0.79 TGFBR1 (0.51) ROCK2PIM1GSK3BTGFBR1GAA
SCHEMBL4864151 0.79 TGFBR1 (0.54) TGFBR1MAPK14
SCHEMBL22228644 0.79 TGFBR1 (0.45) ROCK2PIM1GSK3BTGFBR1MAPK14

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-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 BACE1 473/4885ROCK2 1028/4885PIM1 1168/4885
US-20040176390-A1 Novel fused heteroaromatic compounds as transforming growth factor (TGF) inhibitors SMAD3, TGFBR1, SMAD2 BACE1 703/4885ROCK2 1147/4885PIM1 1213/4885

“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.