SCHEMBL4875330

SCHEMBL4875330

Cn1ccnc1-c1cn(-c2cncnc2)c(-c2ccc(-n3ccc4cccnc43)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.36
CCNC P24863 3/20 0.34
CDK8 P49336 3/20 0.34
MKNK2 Q9HBH9 3/20 0.34
CDC7 O00311 1/20 0.33
CDK2 P24941 1/20 0.33
PTGS2 P35354 4/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2A6 P11509 1/20 0.32
AURKA O14965 1/20 0.32
CDK4 P11802 1/20 0.32
PLK2 Q9NYY3 2/20 0.31
PLK1 P53350 1/20 0.31
HDAC4 P56524 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30

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
SCHEMBL4869041 0.86 PTGS1 (0.34) PTGS1CDC7CDK2PTGS2MAPK9
SCHEMBL4805769 0.85 MAPT (0.39) PTGS1MKNK2CDC7CDK2PTGS2
SCHEMBL4878104 0.81 PTGS1 (0.34) PTGS1MKNK2CDC7CDK2PTGS2
SCHEMBL4801801 0.81 PDE10A (0.39) PTGS1MKNK2CDC7CDK2PTGS2
SCHEMBL4869299 0.81 PTGS1 (0.38) PTGS1MKNK2CDC7CDK2PTGS2
SCHEMBL4877001 0.80 CYP2A6 (0.36) PTGS1MKNK2CDC7CDK2PTGS2
SCHEMBL4859211 0.78 MAPT (0.42) PTGS1MKNK2CDC7CDK2PTGS2
SCHEMBL4808476 0.76 PTGS1 (0.38) PTGS1CDC7CDK2PTGS2
SCHEMBL4805268 0.74 PTGS2 (0.43) PTGS1MKNK2CDC7CDK2PTGS2
SCHEMBL14194736 0.73 PTGS1 (0.41) PTGS1MKNK2CDC7CDK2PTGS2

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
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 PTGS1 527/4885CCNC 2927/4885CDK8 1382/4885

“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.