SCHEMBL903610

SCHEMBL903610

Clc1cc2c(cn1)COCC2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
BACE1 P56817 2/20 0.30
PIK3CD O00329 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 0.92 PIK3CD (0.33) CHRNB2CHRNA4NOS3NOS1NOS2
SCHEMBL903631 0.84 CHRNB2 (0.35) CHRNB2CHRNA4
SCHEMBL19153852 0.77 CHRNA7 (0.35) NOS3NOS1NOS2PIK3CD
SCHEMBL24835496 0.73 HTR2B (0.33) PIK3CD
SCHEMBL18237810 0.73 JAK2 (0.32) PIK3CD
SCHEMBL425866 0.73 NOS3 (0.56) CHRNB2CHRNA4NOS3NOS1NOS2
SCHEMBL29383919 0.73 NOS3 (0.56) CHRNB2CHRNA4NOS3NOS1NOS2
SCHEMBL22369571 0.73 NOS3 (0.50) CHRNB2CHRNA4NOS3NOS1NOS2
SCHEMBL20687400 0.71 NOS3 (0.54) CHRNB2CHRNA4NOS3NOS1NOS2
SCHEMBL20073453 0.71 DYRK1A (0.38) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3276/4885NOS3 1304/4885
US-20160016932-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 CHRNB2 2766/4885CHRNA4 3276/4885NOS3 1304/4885
US-20120077840-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 CHRNB2 2766/4885CHRNA4 3276/4885NOS3 1304/4885

“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.