SCHEMBL4869244

SCHEMBL4869244

c1ccc(-n2nc(-c3ccc(-n4ccc5cccnc54)cc3)c(-c3cccnc3)n2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.38
CDC7 O00311 1/20 0.38
CDK2 P24941 1/20 0.38
MAPT P10636 2/20 0.36
CYP2A6 P11509 2/20 0.35
GRM5 P41594 3/20 0.35
DCTPP1 Q9H773 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
RAD51 Q06609 1/20 0.34
AKT1 P31749 1/20 0.34
TNF P01375 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
AURKA O14965 1/20 0.33
CDK4 P11802 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4879764 0.83 VHL (0.40) VHLCDC7CDK2MAPTCYP2A6
SCHEMBL14223974 0.81 MAPKAPK2 (0.45) CDC7CDK2CYP2A6CYP17A1CYP19A1
SCHEMBL4812655 0.81 CDC7 (0.39) CDC7CDK2CYP2A6CYP17A1CYP19A1
SCHEMBL4872987 0.77 VHL (0.39) VHLCDC7CDK2MAPTCYP2A6
SCHEMBL4873084 0.75 CYP19A1 (0.43) MAPTCYP2A6CYP19A1NPC1RAB9A
SCHEMBL2295195 0.74 CDC7 (0.53) CDC7CDK2MKNK2NPC1RAB9A
SCHEMBL30405693 0.72 CDC7 (0.51) CDC7CDK2MAPTCYP2A6MKNK2
SCHEMBL415753 0.72 CDC7 (0.51) CDC7CDK2MAPTCYP2A6MKNK2
SCHEMBL4875779 0.72 USP8 (0.52) MAPTCYP2A6GRM5DCTPP1NPC1
SCHEMBL4871534 0.72 NPC1 (0.42) MAPTCYP2A6GRM5DCTPP1AKT1

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 4 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 claimed
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
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 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 (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 VHL 1295/4885CDC7 1474/4885CDK2 2090/4885

“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.