SCHEMBL4865680

SCHEMBL4865680

NC(=Nc1ccncc1)c1ccc(-n2ccc3cccnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.41
CDK2 P24941 1/20 0.41
PARP1 P09874 1/20 0.41
SLC22A12 Q96S37 10/20 0.37
PLG P00747 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
MKNK2 Q9HBH9 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PRSS1 P07477 1/20 0.32
ACR P10323 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
CYP2C19 P33261 1/20 0.31

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
SCHEMBL14194683 1.00 CDC7 (0.41) CDC7CDK2PARP1SLC22A12PLG
SCHEMBL4865672 1.00 CDC7 (0.41) CDC7CDK2PARP1SLC22A12PLG
SCHEMBL4811122 0.88 CDC7 (0.40) CDC7CDK2PARP1SLC22A12MEN1
SCHEMBL4810175 0.88 HTR3E (0.43) CDC7CDK2PARP1SLC22A12MEN1
SCHEMBL4810167 0.88 HTR3E (0.43) CDC7CDK2PARP1SLC22A12MEN1
SCHEMBL14194643 0.88 CDC7 (0.40) CDC7CDK2PARP1SLC22A12MEN1
SCHEMBL4878829 0.88 CDC7 (0.40) CDC7CDK2PARP1SLC22A12MEN1
SCHEMBL4810720 0.85 CDC7 (0.40) CDC7CDK2PARP1SLC22A12MEN1
SCHEMBL8223459 0.85 CDC7 (0.40) CDC7CDK2PARP1SLC22A12MEN1
SCHEMBL4810714 0.85 CDC7 (0.40) CDC7CDK2PARP1SLC22A12MEN1

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 1 patent. 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

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 2090/4885PARP1 2349/4885

“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.