SCHEMBL40545

SCHEMBL40545

NCc1ccc(C(F)(F)F)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.53
TRPV4 Q9HBA0 1/20 0.52
LOX P28300 1/20 0.52
DAO P14920 3/20 0.45
MAOB P27338 2/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
TKT P29401 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38

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
SCHEMBL29404783 1.00 LOXL2 (0.53) LOXL2TRPV4LOXDAOMAOB
Hydrochloric Acid SCHEMBL3494124 0.98 LOXL2 (0.55) LOXL2TRPV4LOXDAOMAOB
SCHEMBL8190374 0.84 LOXL2 (0.42) LOXL2TRPV4LOXDAOMAOB
SCHEMBL264730 0.84 TAAR1 (0.52) LOXL2TRPV4LOXDAOMAOB
SCHEMBL24400400 0.83 LOXL2 (0.40) LOXL2TRPV4LOXDAOMAOB
SCHEMBL30641637 0.83 LOXL2 (0.40) LOXL2TRPV4LOXDAOMAOB
SCHEMBL5657097 0.81 DAO (0.48) LOXL2TRPV4LOXDAOMAOB
SCHEMBL4375266 0.81 ST14 (0.50) LOXL2TRPV4LOXMAOB
SCHEMBL21503682 0.79 LOXL2 (0.40) LOXL2TRPV4LOXDAOMAOB
SCHEMBL317731 0.79 TRPV4 (0.52) LOXL2TRPV4LOXDAOMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4295912-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Daiichi Sankyo, Inc. (US) 2023-12-27 EP claimed
EP-2922540-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES F. Hoffmann-La Roche AG (CH) 2015-09-30 EP claimed
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US claimed
US-9133187-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-15 US claimed
US-20150252044-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES HOFFMANN-LA ROCHE INC. (US) 2015-09-10 US claimed
CN-104812387-A Substituted 1, 6-naphthyridines HOFFMANN LA ROCHE 2015-07-29 CN claimed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed
WO-2014079787-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES F. HOFFMANN-LA ROCHE AG (CH) 2014-05-30 WO claimed
EP-2585069-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Janssen Pharmaceutica, N.V. (BE) 2013-05-01 EP claimed
EP-1973886-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-02-27 EP claimed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
EP-1549632-A4 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS DIMENSIONAL PHARM INC (US) 2005-11-09 EP claimed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 US claimed
EP-1549632-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-07-06 EP claimed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-15 US claimed
WO-2003099805-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-12-04 WO claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 LOXL2 3229/4885TRPV4 859/4885LOX 1208/4885
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R LOXL2 3975/4885TRPV4 1263/4885LOX 3522/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A LOXL2 3182/4885TRPV4 911/4885LOX 1273/4885
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R LOXL2 3812/4885TRPV4 1459/4885LOX 3480/4885
US-20150252044-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES CBR3, CBR1, NR2C2 LOXL2 368/4885TRPV4 1896/4885LOX 678/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B LOXL2 2529/4885TRPV4 3855/4885LOX 2495/4885

“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.