SCHEMBL4869079

SCHEMBL4869079

c1ccc(-c2cc(-c3cccnc3)n(-c3ccc(-n4ccc5cccnc54)cc3)n2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP8 P40818 1/20 0.49
CYP2A6 P11509 1/20 0.42
GRM5 P41594 3/20 0.39
PTGS2 P35354 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
CA12 O43570 1/20 0.36
DCTPP1 Q9H773 1/20 0.35
GAA P10253 1/20 0.35
KCNH2 Q12809 1/20 0.35
AOC3 Q16853 1/20 0.35

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
SCHEMBL4875779 0.92 USP8 (0.52) USP8CYP2A6GRM5PTGS2CA1
SCHEMBL4871534 0.81 NPC1 (0.42) USP8CYP2A6GRM5PTGS2NPC1
SCHEMBL4804906 0.81 USP8 (0.56) USP8CYP2A6GRM5PTGS2CA1
SCHEMBL14223974 0.77 MAPKAPK2 (0.45) CYP2A6NPC1RAB9AAKT1MKNK2
SCHEMBL31049774 0.77 CDC7 (0.44) CYP2A6NPC1TP53PKMRAB9A
SCHEMBL4859211 0.76 MAPT (0.42) CYP2A6GRM5PTGS2NPC1TP53
SCHEMBL4878218 0.74 TGFBR1 (0.39) CYP2A6GRM5NPC1TP53PKM
SCHEMBL4873084 0.73 CYP19A1 (0.43) CYP2A6NPC1TP53PKMTSHR
SCHEMBL4869244 0.72 VHL (0.38) CYP2A6GRM5NPC1RAB9AMAPT
SCHEMBL4807218 0.72 USP8 (0.59) USP8CYP2A6GRM5PTGS2CA1

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 5 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
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 WO 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 USP8 2326/4885CYP2A6 157/4885GRM5 881/4885

“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.