SCHEMBL1980284

SCHEMBL1980284

Nc1ccnc2cc(C(F)(F)F)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.56
SOS2 Q07890 1/20 0.56
NOS3 P29474 1/20 0.52
NOS2 P35228 1/20 0.52
NCF1 P14598 2/20 0.51
ADRB2 P07550 1/20 0.51
PARP1 P09874 1/20 0.49
GAK O14976 1/20 0.46
GRM4 Q14833 1/20 0.45
DYRK1A Q13627 3/20 0.44
GSK3B P49841 3/20 0.44
PRKD3 O94806 2/20 0.44
MAP4K4 O95819 2/20 0.44
KDR P35968 2/20 0.44
GSK3A P49840 2/20 0.44
AURKB Q96GD4 2/20 0.44
PRKD2 Q9BZL6 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
PLK4 O00444 1/20 0.44
DYRK3 O43781 1/20 0.44

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
SCHEMBL5314200 0.86 NR4A2 (0.56) NR4A2SOS2NOS3NOS2NCF1
SCHEMBL30174440 0.80 ADRB2 (0.52) NOS3NOS2NCF1ADRB2PARP1
SCHEMBL18582354 0.80 ADRB2 (0.52) NOS3NOS2NCF1ADRB2PARP1
SCHEMBL22854 0.80 ADRB2 (0.52) NOS3NOS2NCF1ADRB2PARP1
SCHEMBL2201230 0.80 ADRB2 (0.52) NOS3NOS2NCF1ADRB2PARP1
SCHEMBL31121093 0.80 ADRB2 (0.52) NOS3NOS2NCF1ADRB2PARP1
SCHEMBL2345433 0.79 ADRB2 (0.51) NOS3NOS2NCF1ADRB2PARP1
SCHEMBL31312344 0.79 ADRB2 (0.51) NOS3NOS2NCF1ADRB2PARP1
SCHEMBL18535272 0.79 ADRB2 (0.51) NOS3NOS2NCF1ADRB2PARP1
SCHEMBL9829215 0.79 ADRB2 (0.51) NOS3NOS2NCF1ADRB2PARP1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017180769-A1 SMALL MOLECULES FOR IMMUNOGENIC TREATMENT OF CANCER CAPTEN THERAPEUTICS INC. (US) 2017-10-19 WO claimed
CN-114773267-B [ (7-trifluoromethyl quinoline-4-yl) amino ] benzamide compound and preparation and application thereof 沈阳药科大学 2024-01-26 CN 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-9856234-B2 Heterocyclic compounds and their use as glycogen synthase kinase 3 inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-02 US disclosed
WO-2017180769-A1 SMALL MOLECULES FOR IMMUNOGENIC TREATMENT OF CANCER CAPTEN THERAPEUTICS INC. (US) 2017-10-19 WO 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
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-1844038-A2 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2007-10-17 EP disclosed
US-20060183749-A1 Novel compounds and methods of treating cell proliferative diseases, retinopathies and arthritis EXONHIT THERAPEUTICS SA (FR) 2006-08-17 US disclosed
EP-1597253-B1 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2006-08-09 EP disclosed
EP-1675850-A1 QUINOLINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2006-07-05 EP disclosed
WO-2006065484-A2 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2006-06-22 WO disclosed
US-20060128689-A1 Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof ABBVIE INC. 2006-06-15 US disclosed
EP-1597253-A2 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS Exonhit Therapeutics S.A. (FR) 2005-11-23 EP disclosed
US-20050113412-A1 Quinoline compounds and their uses MIDCAP FINANCIAL TRUST 2005-05-26 US disclosed
WO-2005033103-A1 QUINOLINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2005-04-14 WO disclosed
WO-2004076445-A2 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2004-09-10 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 (5 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-20060128689-A1 Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof CACNA1E, CACNA1D, CACNA1S NR4A2 421/4885SOS2 1887/4885NOS3 3638/4885
US-20140148458-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS GSK3B, GSK3A, GYS2 NR4A2 4206/4885SOS2 1410/4885NOS3 1177/4885
US-20150274724-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 NR4A2 3713/4885SOS2 1646/4885NOS3 1671/4885
US-20050113412-A1 Quinoline compounds and their uses MRGPRX1, MRGPRX2, HRH4 NR4A2 463/4885SOS2 3556/4885NOS3 709/4885
US-20060183749-A1 Novel compounds and methods of treating cell proliferative diseases, retinopathies and arthritis RB1, ALDH1A2, CDK4 NR4A2 721/4885SOS2 2039/4885NOS3 2529/4885

“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.