SCHEMBL5221215

SCHEMBL5221215

COc1cccc2ncc(C)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.48
CYP1A2 P05177 1/20 0.47
PDPK1 O15530 1/20 0.46
NQO2 P16083 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
G6PD P11413 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
BRD4 O60885 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL27947745 0.82 MTNR1B (0.50) PDE10ACYP1A2PDPK1NQO2POLB
SCHEMBL11154928 0.81 DOT1L (0.46) PDE10APDPK1NQO2NPC1PDE3B
SCHEMBL26317670 0.81 PDGFRA (0.47) PDE10APDPK1PKMPDE3BPDE3A
SCHEMBL2204145 0.81 EGFR (0.47) PDE10APDPK1NQO2NPC1MAPT
SCHEMBL2203334 0.81 PDPK1 (0.45) PDE10APDPK1NQO2NPC1LMNA
SCHEMBL2815588 0.81 PDPK1 (0.45) PDE10APDPK1NQO2PDE3BPDE3A
SCHEMBL1398196 0.79 CYP1A2 (0.41) PDE10ACYP1A2NPC1POLBMAPT
SCHEMBL2204825 0.78 PDPK1 (0.43) PDE10APDPK1NQO2NPC1LMNA
SCHEMBL21849067 0.78 FGFR2 (0.45) PDE10APDPK1PDE3BPDE3AKDM4E
SCHEMBL19520053 0.78 CYP1A2 (0.40) PDE10ACYP1A2NPC1MAPTG6PD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
WO-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
EP-1330460-B1 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2007-03-21 EP disclosed
US-6939871-B2 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C. (GB) 2005-09-06 US disclosed
US-20040063704-A1 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C (GB) 2004-04-01 US disclosed
EP-1330460-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2003-07-30 EP disclosed
WO-2002034754-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-02 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-20040063704-A1 Benzoxazinone derivatives, their preparation and use CYP2B6, CBR1, CYP2A6 PDE10A 2931/4885CYP1A2 317/4885PDPK1 4445/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PDE10A 794/4885CYP1A2 767/4885PDPK1 868/4885

“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.