SCHEMBL4879764

SCHEMBL4879764

c1ccc(-n2cc(-c3cccnc3)c(-c3ccc(-n4ccc5cccnc54)cc3)n2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.40
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.35
CDC7 O00311 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
SRC P12931 1/20 0.33
BRAF P15056 1/20 0.33
KDR P35968 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALKBH2 Q6NS38 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAPK10 P53779 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
SCHEMBL4869244 0.83 VHL (0.38) VHLMAPTCDC7CDK2CYP17A1
SCHEMBL4872987 0.78 VHL (0.39) VHLMAPTCDC7CDK2MAPK1
SCHEMBL14223974 0.78 MAPKAPK2 (0.45) CDC7CDK2CYP17A1CYP1A2CYP11B1
SCHEMBL4812655 0.75 CDC7 (0.39) CDC7CDK2KMT2ACYP17A1CYP11B1
SCHEMBL2295195 0.71 CDC7 (0.53) CDC7CDK2NPC1RAB9A
SCHEMBL4859211 0.70 MAPT (0.42) MAPTCDC7CDK2CYP2A6NPC1
SCHEMBL4873084 0.70 CYP19A1 (0.43) MAPTKMT2ABRAFCYP2A6NPC1
SCHEMBL415753 0.69 CDC7 (0.51) GAAMAPTCDC7CDK2MAPK1
SCHEMBL30405693 0.69 CDC7 (0.51) GAAMAPTCDC7CDK2MAPK1
SCHEMBL4871534 0.69 NPC1 (0.42) MAPTMAPK1KMT2ACYP2A6NPC1

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 2 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

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 1295/4885GAA 347/4885MAPT 964/4885

“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.