SCHEMBL3798480

SCHEMBL3798480

O=C(Nc1cccnc1)Nc1ccnc2cc(C(F)(F)F)ccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 8/20 0.71
GSK3B P49841 7/20 0.71
GSK3A P49840 6/20 0.71
KDR P35968 4/20 0.71
STK17A Q9UEE5 4/20 0.71
CLK2 P49760 4/20 0.71
PRKD3 O94806 3/20 0.71
MAP4K4 O95819 3/20 0.71
AURKB Q96GD4 3/20 0.71
DYRK3 O43781 3/20 0.71
DYRK1A Q13627 3/20 0.71
CDK5 Q00535 3/20 0.71
PRKD2 Q9BZL6 2/20 0.71
CDK2 P24941 2/20 0.71
LIMK1 P53667 2/20 0.71
CSNK1G2 P78368 2/20 0.71
PIM3 Q86V86 2/20 0.71
BRSK1 Q8TDC3 2/20 0.71
SGK2 Q9HBY8 2/20 0.71
PLK4 O00444 1/20 0.71

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
SCHEMBL3802860 0.83 CLK4 (1.00) CLK4GSK3BGSK3AKDRSTK17A
SCHEMBL3802284 0.81 PLK4 (0.68) CLK4GSK3BGSK3AKDRSTK17A
SCHEMBL3795773 0.80 CLK4 (0.74) CLK4GSK3BGSK3AKDRSTK17A
SCHEMBL9191959 0.78 KMT2A (0.71) KDREPHX2TRPV1MEN1MAPT
SCHEMBL30772272 0.78 EPHX2 (0.87) KDRFGFR1EPHX2TRPV1MEN1
SCHEMBL27299059 0.77 CLK4 (0.63) CLK4GSK3BGSK3AKDRSTK17A
SCHEMBL10008456 0.77 CLK4 (1.00) CLK4GSK3BGSK3AKDRSTK17A
SCHEMBL9192658 0.76 AHR (0.67) KDREPHX2MEN1LMNAMAPT
Hydrochloric Acid SCHEMBL9390453 0.75 L3MBTL1 (0.64) CLK4GSK3BGSK3AKDRSTK17A
SCHEMBL31060264 0.74 CLK4 (1.00) CLK4GSK3BGSK3AKDRSTK17A

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-9856234-B2 Heterocyclic compounds and their use as glycogen synthase kinase 3 inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-02 US disclosed
US-20140148458-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-05-29 US disclosed
US-8642598-B2 Heterocyclic compounds and their use as glycogen synthase kinase 3 inhibitors ABBVIE INC. (US) 2014-02-04 US disclosed
EP-2091943-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS ABBVIE DEUTSCHLAND (DE) 2013-11-20 EP disclosed
EP-2535336-A1 Heterocyclic compounds and their use as glycogen synthase kinase 3 inhibitors Abbott GmbH & Co. KG (DE) 2012-12-19 EP disclosed
US-20100324042-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS ABBOTT GMBH & CO. KG. (DE) 2010-12-23 US disclosed
CN-101573352-A Heterocyclic compounds and their use as glycogen synthase kinase 3 inhibitors ABBOTT GMBH & CO KG (DE) 2009-11-04 CN 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-20140148458-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS GSK3B, GSK3A, GYS2 CLK4 644/4885GSK3B 1/4885GSK3A 2/4885
US-20100324042-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS GSK3B, GSK3A, GYS2 CLK4 644/4885GSK3B 1/4885GSK3A 2/4885

“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.