SCHEMBL4875563

SCHEMBL4875563

c1ccc(-c2cn(-c3cccnc3)c(-c3ccc(-n4cnc5cccnc54)cc3)n2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.45
MAPT P10636 5/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
PPP1CA P62136 1/20 0.45
HTT P42858 3/20 0.39
CYP17A1 P05093 1/20 0.39
CYP2A6 P11509 1/20 0.39
AKT1 P31749 1/20 0.39
PTGS1 P23219 1/20 0.39
FGFR1 P11362 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
THRB P10828 1/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.37

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
SCHEMBL4806864 0.91 PDE10A (0.43) PDE10AMAPTKMT2ANPSR1CYP1A2
SCHEMBL4812854 0.89 MAPT (0.58) MAPTKMT2ANPSR1CYP1A2CYP2C9
SCHEMBL4810387 0.83 CYP1A2 (0.39) PDE10AMAPTKMT2ANPSR1CYP1A2
SCHEMBL4859211 0.83 MAPT (0.42) MAPTCYP2A6AKT1PTGS1CYP3A4
SCHEMBL4879358 0.83 GRM1 (0.41) MAPTKMT2ANPSR1CYP1A2CYP2C9
SCHEMBL4877197 0.82 MAPT (0.45) MAPTKMT2ANPSR1CYP1A2CYP2C9
SCHEMBL4808663 0.82 CYP2A6 (0.54) MAPTKMT2ACYP1A2HTTCYP2A6
SCHEMBL4810066 0.80 CYP2A6 (0.45) MAPTCYP1A2HTTCYP2A6PTGS1
SCHEMBL4878495 0.80 PTGS1 (0.36) PDE10AMAPTKMT2ANPSR1CYP1A2
SCHEMBL4809561 0.80 CYP3A4 (0.52) KMT2ACYP1A2CYP2C9CYP2C19CYP2A6

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 PDE10A 8/4885MAPT 964/4885KMT2A 1148/4885

“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.