SCHEMBL4875437

SCHEMBL4875437

c1ccc(-c2cn(-c3cccnc3)c(-c3ccc(-n4ccc5ccccc54)cc3)n2)nc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
BIRC5 O15392 1/20 0.41
TGFBR1 P36897 3/20 0.40
CYP2A6 P11509 2/20 0.40
PTGS1 P23219 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPP1CA P62136 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRM5 P41594 1/20 0.38
CYP19A1 P11511 2/20 0.38
CYP2E1 P05181 1/20 0.37
CYP3A4 P08684 1/20 0.37
PTGS2 P35354 1/20 0.37
TGFBR2 P37173 1/20 0.36

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
SCHEMBL4859211 0.89 MAPT (0.42) MAPTCYP2A6PTGS1GRM5CYP2E1
SCHEMBL4806012 0.86 TGFBR1 (0.44) MAPTTGFBR1CYP2A6PTGS1GRM5
SCHEMBL4878767 0.86 MAPT (0.54) MAPTTGFBR1GRM5CYP19A1PTGS2
SCHEMBL4878282 0.86 MAPT (0.46) MAPTBIRC5TGFBR1PTGS1CYP1A2
SCHEMBL4875319 0.85 MAPT (0.38) MAPTTGFBR1CYP2A6PTGS1CYP1A2
SCHEMBL4810083 0.84 MAPT (0.39) MAPTCYP2A6PTGS1GRM5CYP2E1
SCHEMBL4812854 0.83 MAPT (0.58) MAPTCYP1A2CYP2C9CYP2C19PPP1CA
SCHEMBL4877197 0.83 MAPT (0.45) MAPTCYP2A6PTGS1CYP1A2CYP2C9
SCHEMBL4875800 0.83 IRAK4 (0.43) MAPTCYP2A6PTGS1CYP1A2CYP2C9
SCHEMBL4875388 0.83 GRIA1 (0.39) MAPTTGFBR1GRM5CYP19A1PTGS2

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 964/4885BIRC5 931/4885TGFBR1 1344/4885

“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.