SCHEMBL3841526

SCHEMBL3841526

COc1ccc2c(N)ccnc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.58
ADRA1D P25100 3/20 0.58
ADRA1A P35348 3/20 0.58
ADRA1B P35368 3/20 0.58
FERMT2 Q96AC1 1/20 0.56
NR4A2 P43354 1/20 0.56
SOS2 Q07890 1/20 0.56
NOS3 P29474 1/20 0.52
NOS1 P29475 1/20 0.52
NOS2 P35228 1/20 0.52
TLR8 Q9NR97 1/20 0.50
GAK O14976 1/20 0.50
RIPK2 O43353 1/20 0.50
COQ8A Q8NI60 1/20 0.50
NLK Q9UBE8 1/20 0.50
KDM4E B2RXH2 2/20 0.49
NCF1 P14598 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL2929112 0.86 KDM4E (0.60) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL21121714 0.83 NR4A2 (0.46) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL8145365 0.81 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL2997568 0.80 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL21121550 0.80 NR4A2 (0.43) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL201122 0.79 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL704734 0.79 TLR8 (0.61) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL11772078 0.79 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL31298565 0.79 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL2996402 0.79 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BFERMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4405343-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-07-31 EP disclosed
WO-2023046698-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-03-30 WO disclosed
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
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
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
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 US 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
EP-2114898-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS Amgen Inc. (US) 2009-11-11 EP disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 US disclosed
WO-2008103277-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS AMGEN INC. (US) 2008-08-28 WO disclosed
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US disclosed
EP-1003737-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-05-31 EP disclosed
WO-1999009024-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-02-25 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 (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-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use HGF, HGFAC, MET HTR1A 3914/4885ADRA1D 3613/4885ADRA1A 3497/4885
US-20150274724-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 HTR1A 2224/4885ADRA1D 2337/4885ADRA1A 2182/4885
US-20120172376-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 HTR1A 2224/4885ADRA1D 2337/4885ADRA1A 2182/4885

“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.