SCHEMBL605004

SCHEMBL605004

FC(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
TRPV1 Q8NER1 5/20 0.45
FAAH O00519 1/20 0.45
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
AAK1 Q2M2I8 1/20 0.44
CASP1 P29466 1/20 0.43
KIF11 P52732 1/20 0.42

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
SCHEMBL4717327 0.87 ABL1 (0.57) ABL1BCRTRPV1FAAHKIF11
SCHEMBL1013500 0.82 TRPV1 (0.45) ABL1BCRTRPV1FAAHAAK1
SCHEMBL601224 0.81 KMO (0.61) FAAH
SCHEMBL1011817 0.80 ABL1 (0.51) ABL1BCRTRPV1FAAHS1PR1
SCHEMBL2907264 0.79 CYP1A2 (0.44) FAAHAAK1
SCHEMBL18224103 0.79 NPSR1 (0.40) ABL1BCRAAK1KIF11
SCHEMBL1257940 0.79 KMO (0.58) FAAH
SCHEMBL19219086 0.79 KIF11 (0.68) ABL1BCRTRPV1FAAHKIF11
SCHEMBL30268389 0.79 ASIC3 (0.59) ABL1BCRTRPV1FAAHAAK1
SCHEMBL12954522 0.79 ABL1 (0.50) ABL1BCRTRPV1FAAHKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118047763-A Saturated nitrogen heterocyclic compound containing pyrimidine structure, and preparation method and application thereof 贵州大学 2024-05-17 CN disclosed
EP-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 EP disclosed
CN-104684899-B Substituted sulfonamide compounds 霍夫曼-拉罗奇有限公司 2017-07-04 CN disclosed
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 US disclosed
EP-2900642-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-08-05 EP disclosed
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS GENENTECH, INC. (US) 2015-07-16 US disclosed
CN-104684899-A Substituted sulfonamide compounds HOFFMANN LA ROCHE 2015-06-03 CN disclosed
WO-2015028989-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2015-03-05 WO disclosed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-01 US disclosed
CN-1694873-A Vanilloid receptor ligands and their use in treatments AMGEN INC (US) 2005-11-09 CN disclosed
EP-1562934-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2005-08-17 EP disclosed
EP-1546116-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2005-06-29 EP disclosed
EP-1542692-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Amgen Inc. (US) 2005-06-22 EP disclosed
WO-2004046133-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2004-06-03 WO disclosed
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-04-29 US disclosed
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-02-26 US disclosed
WO-2004014871-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-02-19 WO disclosed
WO-2003099284-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC. (US) 2003-12-04 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-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS TRPA1, TRPV1, TRPV5 ABL1 1402/4885BCR 1371/4885TRPV1 2/4885
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ABL1 1496/4885BCR 630/4885TRPV1 1/4885
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ABL1 1443/4885BCR 587/4885TRPV1 1/4885
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 ABL1 3488/4885BCR 3100/4885TRPV1 2/4885
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ABL1 1502/4885BCR 667/4885TRPV1 1/4885

“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.