SCHEMBL4875319

SCHEMBL4875319

Clc1cccc2c1ccn2-c1ccc(-c2nc(-c3ccccn3)cn2-c2cccnc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
PTGS2 P35354 3/20 0.36
PTGS1 P23219 2/20 0.36
CYP2A6 P11509 2/20 0.35
PTGER2 P43116 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPP1CA P62136 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP19A1 P11511 1/20 0.34
GRM5 P41594 1/20 0.34
TGFBR1 P36897 3/20 0.33
TGFBR2 P37173 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CNR1 P21554 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
MAPK14 Q16539 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
SCHEMBL4875388 0.85 GRIA1 (0.39) MAPTPTGS2CYP19A1GRM5TGFBR1
SCHEMBL4875437 0.85 MAPT (0.47) MAPTPTGS2PTGS1CYP2A6CYP1A2
SCHEMBL4877197 0.80 MAPT (0.45) MAPTPTGS2PTGS1CYP2A6CYP1A2
SCHEMBL4859211 0.79 MAPT (0.42) MAPTPTGS2PTGS1CYP2A6GRM5
SCHEMBL4869156 0.79 MAPT (0.36) MAPTPTGS2PTGS1CYP2A6GRM5
SCHEMBL4812854 0.78 MAPT (0.58) MAPTCYP1A2CYP2C9CYP2C19PPP1CA
SCHEMBL4808663 0.78 CYP2A6 (0.54) MAPTPTGS2CYP2A6CYP1A2KMT2A
SCHEMBL4878767 0.77 MAPT (0.54) MAPTPTGS2CYP19A1GRM5TGFBR1
SCHEMBL4810083 0.77 MAPT (0.39) MAPTPTGS2PTGS1CYP2A6GRM5
SCHEMBL4806012 0.77 TGFBR1 (0.44) MAPTPTGS2PTGS1CYP2A6CYP19A1

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 MAPT 964/4885PTGS2 854/4885PTGS1 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.