SCHEMBL4877277

SCHEMBL4877277

COc1ccc(-n2cc(-c3ccccn3)nc2-c2ccc(-n3ccc4cccnc43)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.39
PTGS1 P23219 2/20 0.39
OXTR P30559 3/20 0.37
AVPR1A P37288 3/20 0.37
AVPR2 P30518 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.35
MAT2A P31153 2/20 0.35
CYP19A1 P11511 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
KDR P35968 1/20 0.33
PIK3CA P42336 1/20 0.33
PTK2 Q05397 1/20 0.33
PIK3CD O00329 1/20 0.33
HPGDS O60760 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL4808476 0.89 PTGS1 (0.38) PTGS2PTGS1KMT2AMAPTIRAK4
SCHEMBL4859211 0.87 MAPT (0.42) PTGS2PTGS1MAPTPTK2NPC1
SCHEMBL4869334 0.86 MAPT (0.40) PTGS2PTGS1OXTRAVPR1AAVPR2
SCHEMBL4805769 0.83 MAPT (0.39) PTGS2PTGS1KMT2AMAPT
SCHEMBL4874533 0.81 PTGS1 (0.36) PTGS2PTGS1KMT2AMAPTMAT2A
SCHEMBL4877514 0.81 MAPT (0.41) PTGS1MEN1KMT2AMAPTCYP19A1
SCHEMBL4878202 0.79 MKNK2 (0.42) PTGS2PTGS1MAPT
SCHEMBL4876566 0.79 DGAT1 (0.36) PTGS2PTGS1KMT2AMAPTIRAK4
SCHEMBL4878495 0.79 PTGS1 (0.36) PTGS2PTGS1KMT2AMAPTIRAK4
SCHEMBL4809173 0.78 DGAT1 (0.35) PTGS2PTGS1MAPTIRAK4

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 PTGS2 854/4885PTGS1 527/4885OXTR 4198/4885

“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.