SCHEMBL3798774

SCHEMBL3798774

O=C(Nc1cnccn1)Nc1c2c(nc3ccccc13)CCCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.54
PLK4 O00444 1/20 0.54
CHEK1 O14757 1/20 0.54
PDPK1 O15530 1/20 0.54
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
CHEK2 O96017 1/20 0.54
CDK1 P06493 1/20 0.54
PIM1 P11309 1/20 0.54
RPS6KB1 P23443 1/20 0.54
CDK2 P24941 1/20 0.54
FLT4 P35916 1/20 0.54
KDR P35968 1/20 0.54
CSNK1D P48730 1/20 0.54
CDK8 P49336 1/20 0.54
CLK2 P49760 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54

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
SCHEMBL4379039 0.94 ACHE (0.53) HTTGAAMAPTPLK4CHEK1
SCHEMBL4560545 0.92 CHEK1 (0.51) HTTGAAMAPTPLK4CHEK1
SCHEMBL4560546 0.81 HTT (0.43) HTTGAAMAPTBCHEACHE
SCHEMBL4379043 0.79 ACHE (0.50) HTTGAAMAPTBCHEACHE
SCHEMBL9208663 0.78 HTT (0.74) HTTGAAMAPTBCHEACHE
SCHEMBL9749208 0.78 HTT (0.64) HTTGAAMAPTBCHEACHE
SCHEMBL8473136 0.77 HTT (0.69) HTTGAAMAPTBCHEACHE
SCHEMBL8472225 0.76 HTT (0.71) HTTGAAMAPTBCHEACHE
SCHEMBL10061487 0.76 HTT (0.67) HTTGAAMAPTBCHEACHE
SCHEMBL8476129 0.75 HTT (0.73) HTTGAAMAPTBCHEACHE

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 14 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 claimed
US-20140148458-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-05-29 US claimed
US-8642598-B2 Heterocyclic compounds and their use as glycogen synthase kinase 3 inhibitors ABBVIE INC. (US) 2014-02-04 US claimed
EP-2091943-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS ABBVIE DEUTSCHLAND (DE) 2013-11-20 EP claimed
EP-2535336-A1 Heterocyclic compounds and their use as glycogen synthase kinase 3 inhibitors Abbott GmbH & Co. KG (DE) 2012-12-19 EP claimed
US-20100324042-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS ABBOTT GMBH & CO. KG. (DE) 2010-12-23 US claimed
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
EP-2091943-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS Abbott GmbH & Co. KG (DE) 2009-08-26 EP disclosed
WO-2008046919-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2008-04-24 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-20140148458-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS GSK3B, GSK3A, GYS2 HTT 3830/4885GAA 209/4885MAPT 1039/4885
US-20100324042-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS GSK3B, GSK3A, GYS2 HTT 3830/4885GAA 209/4885MAPT 1039/4885

“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.