SCHEMBL4807218

SCHEMBL4807218

Ic1ccc(-n2nc(-c3cccnc3)cc2-c2ccccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP8 P40818 1/20 0.59
CYP2A6 P11509 2/20 0.52
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
GRM5 P41594 2/20 0.44
PTGS2 P35354 2/20 0.43
PTGS1 P23219 1/20 0.43
EPHX2 P34913 5/20 0.43
DCTPP1 Q9H773 1/20 0.42
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL4804906 0.90 USP8 (0.56) USP8CYP2A6CA1CA2CA9
SCHEMBL15070434 0.87 USP8 (0.76) USP8CA1CA2CA9CA12
SCHEMBL4875779 0.81 USP8 (0.52) USP8CYP2A6CA1CA2CA9
SCHEMBL14133071 0.79 RAB9A (0.57) USP8GRM5PTGS2PTGS1NPC1
SCHEMBL15070241 0.77 USP8 (0.77) USP8CA1CA2CA9CA12
SCHEMBL4859901 0.77 CYP2A6 (0.48) USP8CYP2A6GRM5DCTPP1NPC1
SCHEMBL14133080 0.76 NPC1 (0.52) USP8GRM5PTGS2PTGS1NPC1
SCHEMBL14133059 0.74 USP8 (0.72) USP8CA1CA2CA9CA12
SCHEMBL6014865 0.72 CYP2A6 (0.51) USP8CYP2A6CA1CA2CA9
SCHEMBL4869079 0.72 USP8 (0.49) USP8CYP2A6CA1CA2CA9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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
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 (2 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-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B USP8 446/4885CYP2A6 869/4885CA1 4881/4885
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 USP8 2326/4885CYP2A6 157/4885CA1 853/4885

“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.