SCHEMBL903631

SCHEMBL903631

Clc1cc2c(cn1)COC2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
PRKCG P05129 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCD Q05655 1/20 0.30

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
SCHEMBL17398633 0.84 PIK3CD (0.33) CHRNB2CHRNA4
SCHEMBL903610 0.84 CHRNB2 (0.32) CHRNB2CHRNA4
SCHEMBL22369571 0.74 NOS3 (0.50) CHRNB2CHRNA4
SCHEMBL16516076 0.74 XIAP (0.34)
SCHEMBL6277647 0.73 UHRF1 (0.37) PRKCGPRKCAPRKCD
SCHEMBL16418923 0.73 NOS3 (0.54) CHRNB2CHRNA4PRKCGPRKCAPRKCD
Ammonia Solution, Strong SCHEMBL9851492 0.71
SCHEMBL29383919 0.70 NOS3 (0.56) CHRNB2CHRNA4
SCHEMBL425866 0.70 NOS3 (0.56) CHRNB2CHRNA4
SCHEMBL3329769 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020083377-A1 PYRROLIDINYL UREA DERIVATIVES AND APPLICATION THEREOF 南京明德新药研发有限公司 2020-04-30 WO disclosed
US-20160194320-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBVIE DEUTSCHLAND (DE) 2016-07-07 US disclosed
US-20160194320-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBVIE DEUTSCHLAND (DE) 2016-07-07 US disclosed
US-9266855-B2 Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2016-02-23 US disclosed
US-9266855-B2 Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2016-02-23 US disclosed
US-20160016932-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-21 US disclosed
US-20160016932-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-21 US disclosed
WO-2012041814-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2012-04-05 WO disclosed
US-20120077840-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2012-03-29 US disclosed
US-20120077840-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2012-03-29 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 (3 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-20160194320-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 CHRNB2 2766/4885CHRNA4 3276/4885PRKCG 179/4885
US-20160016932-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 CHRNB2 2766/4885CHRNA4 3276/4885PRKCG 179/4885
US-20120077840-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 CHRNB2 2766/4885CHRNA4 3276/4885PRKCG 179/4885

“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.