SCHEMBL4871534

SCHEMBL4871534

c1ccc(-c2nc(-c3cccnc3)n(-c3ccc(-n4ccc5cccnc54)cc3)n2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2A6 P11509 1/20 0.42
GRM5 P41594 4/20 0.41
TGFBR1 P36897 3/20 0.40
AKT1 P31749 1/20 0.39
F2 P00734 1/20 0.38
F12 P00748 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.35
USP8 P40818 1/20 0.35
HTT P42858 2/20 0.34
PTGS2 P35354 1/20 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
SCHEMBL4878218 0.91 TGFBR1 (0.39) NPC1RAB9ATP53PKMTSHR
SCHEMBL4859901 0.82 CYP2A6 (0.48) NPC1RAB9ATP53PKMTSHR
SCHEMBL4869079 0.81 USP8 (0.49) NPC1RAB9ATP53PKMTSHR
SCHEMBL4875779 0.81 USP8 (0.52) NPC1RAB9ATP53PKMTSHR
SCHEMBL4807255 0.77 CYP2A6 (0.41) NPC1RAB9ATP53PKMTSHR
SCHEMBL14223974 0.77 MAPKAPK2 (0.45) NPC1RAB9ACYP2A6AKT1ALDH1A1
SCHEMBL4859211 0.76 MAPT (0.42) NPC1RAB9ATP53PKMTSHR
SCHEMBL4873084 0.76 CYP19A1 (0.43) NPC1RAB9ATP53PKMTSHR
SCHEMBL4876773 0.76 F12 (0.43) NPC1RAB9ATP53PKMTSHR
SCHEMBL14194750 0.75 PDE10A (0.41) NPC1RAB9ATP53PKMTSHR

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 NPC1 1779/4885RAB9A 870/4885TP53 4648/4885

“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.