SCHEMBL10008366

SCHEMBL10008366

Nc1ccnc2c(F)ccc(F)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
ACVR1 Q04771 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MPI P34949 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NCF1 P14598 1/20 0.33
SOS2 Q07890 1/20 0.33
PIK3R2 O00459 9/20 0.33
AURKA O14965 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
PIK3CB P42338 4/20 0.32
PIK3CD O00329 3/20 0.32
PIK3R1 P27986 3/20 0.32
PIK3CA P42336 3/20 0.32
PIK3CG P48736 2/20 0.32

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
SCHEMBL16132500 0.74 CCR1 (0.46) HCRTR1HCRTR2GSK3AGSK3BACVR1
SCHEMBL16742836 0.74 KDM4E (0.46) HCRTR1HCRTR2GSK3AGSK3BACVR1
SCHEMBL19989867 0.74 HCRTR1 (0.36) NR4A2HCRTR1HCRTR2GSK3AGSK3B
SCHEMBL27195847 0.73 ALDH1A1 (0.38) NR4A2KDM4EMPIL3MBTL1HSP90AA1
SCHEMBL10669377 0.71 NCF1 (0.48) NR4A2NCF1SOS2AURKA
SCHEMBL6615706 0.71 NR4A2 (0.61) NR4A2GSK3AGSK3BKDM4EMPI
SCHEMBL4284799 0.70 NSD2 (0.39) AURKA
SCHEMBL16381310 0.70 NR4A2 (0.48) NR4A2KDM4ENCF1SOS2HSP90AA1
SCHEMBL5515943 0.70 ALDH1A1 (0.46)
SCHEMBL16712833 0.70 MAP4K4 (0.41) GSK3AGSK3BAURKAPIK3CBPIK3CD

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
EP-3351543-A1 1-(QUINOLIN-4-YL)-3-(6-(TRIFLUOROMETHYL)-PYRIDIN-2-YL)UREA AND 1-(QUINOLIN-4-YL)-3-(6-(TRIFLUOROMETHYL)-PYRAZINE-2-YL)UREA DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3 (GSK-3) INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES AbbVie Deutschland GmbH & Co. KG (DE) 2018-07-25 EP disclosed
US-9540370-B2 Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors ABBVIE DEUTSCHLAND GMBH & CO., KG. (DE) 2017-01-10 US disclosed
CN-103476766-B Heterocyclic compound and they are as the purposes of glycogen synthase kinase-3 inhibitors ABBVIE德国有限责任两合公司 2016-08-10 CN disclosed
US-20150274724-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-01 US disclosed
US-9090592-B2 Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2015-07-28 US disclosed
CN-103476766-A Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors ABBOTT GMBH & CO KG 2013-12-25 CN disclosed
EP-2658854-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS Abbvie Deutschland GmbH & Co. KG (DE) 2013-11-06 EP disclosed
WO-2012089828-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2012-07-05 WO disclosed
US-20120172376-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2012-07-05 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 (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-20150274724-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 NR4A2 3713/4885HCRTR1 2877/4885HCRTR2 2907/4885
US-20120172376-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 NR4A2 3713/4885HCRTR1 2877/4885HCRTR2 2907/4885

“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.