SCHEMBL4804886

SCHEMBL4804886

C(#Cc1cccnc1)c1ccc(-n2ccc3cccnc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.42
CDK2 P24941 1/20 0.42
CYP19A1 P11511 1/20 0.41
GRM5 P41594 6/20 0.40
PIK3CA P42336 2/20 0.39
MKNK2 Q9HBH9 1/20 0.39
FFAR1 O14842 1/20 0.39
MTOR P42345 1/20 0.39
CYP2A6 P11509 3/20 0.39
PDPK1 O15530 2/20 0.39
AKT1 P31749 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
CYP2D6 P10635 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2E1 P05181 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2B6 P20813 2/20 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
SCHEMBL415753 0.81 CDC7 (0.51) CDC7CDK2MKNK2CYP2A6CYP2E1
SCHEMBL30405693 0.81 CDC7 (0.51) CDC7CDK2MKNK2CYP2A6CYP2E1
SCHEMBL14223974 0.79 MAPKAPK2 (0.45) CDC7CDK2CYP19A1MKNK2CYP2A6
SCHEMBL4802257 0.79 CYP19A1 (0.52) CDC7CDK2CYP19A1GRM5CYP2C19
SCHEMBL4869294 0.79 CDC7 (0.47) CDC7CDK2CYP19A1MKNK2CYP2C19
SCHEMBL2295195 0.76 CDC7 (0.53) CDC7CDK2MKNK2CYP2C19
Hydrochloric Acid SCHEMBL30335602 0.75 CDC7 (0.51) CDC7CDK2CYP19A1MKNK2CYP2C19
SCHEMBL1150333 0.74 CDC7 (0.54) CDC7CDK2CYP2C19
SCHEMBL30828406 0.74 CDC7 (0.54) CDC7CDK2CYP2C19
SCHEMBL13907278 0.73 CYP2A6 (0.62) GRM5FFAR1CYP2A6CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 WO 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 (1 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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 CDC7 1474/4885CDK2 2090/4885CYP19A1 60/4885

“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.