SCHEMBL4859211

SCHEMBL4859211

c1ccc(-c2cn(-c3cccnc3)c(-c3ccc(-n4ccc5cccnc54)cc3)n2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
CYP2A6 P11509 2/20 0.40
PTGS1 P23219 1/20 0.39
CYP2E1 P05181 1/20 0.37
CYP3A4 P08684 1/20 0.37
PTGS2 P35354 4/20 0.37
CDC7 O00311 1/20 0.36
CDK2 P24941 1/20 0.36
AURKA O14965 1/20 0.36
CDK4 P11802 1/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM5 P41594 1/20 0.35
AKT1 P31749 1/20 0.35
MKNK2 Q9HBH9 1/20 0.34
GRM1 Q13255 2/20 0.34

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
SCHEMBL4805769 0.92 MAPT (0.39) MAPTCYP2A6PTGS1PTGS2CDC7
SCHEMBL4808476 0.91 PTGS1 (0.38) MAPTPTGS1PTGS2CDC7CDK2
SCHEMBL4875437 0.89 MAPT (0.47) MAPTCYP2A6PTGS1CYP2E1CYP3A4
SCHEMBL4877514 0.87 MAPT (0.41) MAPTCYP2A6PTGS1CYP3A4CDC7
SCHEMBL4877277 0.87 PTGS2 (0.39) MAPTPTGS1PTGS2NPC1RAB9A
SCHEMBL4868771 0.85 PTGS2 (0.36) MAPTPTGS1PTGS2CDC7CDK2
SCHEMBL4874533 0.85 PTGS1 (0.36) MAPTPTGS1PTGS2CDC7CDK2
SCHEMBL4810131 0.84 MKNK2 (0.35) MAPTCYP2A6CYP2E1CYP3A4CDC7
SCHEMBL4810083 0.84 MAPT (0.39) MAPTCYP2A6PTGS1CYP2E1CYP3A4
SCHEMBL4810377 0.84 CYP2A6 (0.40) MAPTCYP2A6PTGS1CYP2E1CYP3A4

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 5 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
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 MAPT 964/4885CYP2A6 157/4885PTGS1 527/4885

“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.