SCHEMBL306319

SCHEMBL306319

Nc1cnc(C(F)(F)F)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
CHKA P35790 1/20 0.46
TRPV4 Q9HBA0 1/20 0.43
FEN1 P39748 9/20 0.40
ALOX5AP P20292 7/20 0.40
HSP90AA1 P07900 2/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
HSP90AB1 P08238 1/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33

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
SCHEMBL30042539 1.00 CA2 (0.46) CA2CHKATRPV4FEN1ALOX5AP
Hydrochloric Acid SCHEMBL31336743 0.98 CA2 (0.45) CA2CHKATRPV4FEN1ALOX5AP
SCHEMBL27976387 0.84 CA2 (0.36) CA2CHKATRPV4FEN1ALOX5AP
SCHEMBL14786224 0.81 HSP90AA1 (0.36) CA2CHKATRPV4FEN1ALOX5AP
SCHEMBL14786313 0.81 HSP90AA1 (0.36) CA2CHKATRPV4FEN1ALOX5AP
SCHEMBL14683983 0.78 GCK (0.37) CA2CHKAFEN1ALOX5APHSP90AA1
SCHEMBL2739648 0.75 NOS3 (0.41) FEN1ALOX5APHSP90AA1KDM4ENOS3
SCHEMBL28021874 0.75 KCNH2 (0.50) TRPV4FEN1ALOX5APPIK3CDPIK3CA
SCHEMBL647114 0.74
SCHEMBL30224817 0.72 TRPV4 (0.44) CA2CHKATRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092784-A1 CONDENSED HETEROCYCLIC COMPOUND NISSAN CHEMICAL CORPORATION (JP) 2024-03-21 US claimed
CN-117165078-A Cyanate resin with low dielectric loss suitable for winding forming process, preparation method and application 中国科学院宁波材料技术与工程研究所 2023-12-05 CN claimed
EP-4219500-A1 CONDENSED HETEROCYCLIC COMPOUND Nissan Chemical Corporation (JP) 2023-08-02 EP claimed
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LIMITED (GB) 2022-10-20 US claimed
US-12617802-B2 Sulfonimidamide compounds as NLRP3 modulators GENENTECH, INC. (US) 2026-05-05 US disclosed
US-12516065-B2 Tertiary alcohols as PI3K-γ inhibitors INCYTE CORPORATION (US) 2026-01-06 US disclosed
US-12384773-B2 Thiazole compounds and methods of use thereof ARCUS BIOSCIENCES, INC. (US) 2025-08-12 US disclosed
EP-4419525-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2025-07-23 EP disclosed
US-20250230165-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2025-07-17 US disclosed
EP-4583870-A2 MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER Mito Biopharma, LLC (US) 2025-07-16 EP disclosed
WO-2025104154-A1 5-[2,7-DIAZASPIRO[3.5]NONAN-7-YL]-5-[4-PHENOXYPHENYL]HEXAHYDROPYRIMIDINE-2,4,6-TRIONE DERIVATIVES AS MMP9 INHIBITORS FOR THE TREATMENT OF DRY EYE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-05-22 WO disclosed
US-20250145606-A1 THIAZOLE COMPOUNDS AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2025-05-08 US disclosed
CN-1507436-A Aryl and heteroaryl urea CHK1 inhibitors for use as radiosensitizers and chamosensitizers 2004-06-23 CN disclosed
EP-1379510-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2004-01-14 EP disclosed
US-20030069284-A1 Compounds useful for inhibiting Chk1 ICOS CORPORATION (A WASHINGTON CORPORATION) 2003-04-10 US disclosed
WO-2002070494-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2002-09-12 WO disclosed
US-5079251-A Insecticides, pesticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-07 US disclosed
EP-0408196-A2 Pyrazinone derivatives as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-16 EP disclosed
US-4293552-A Novel 1-(mono-o-substituted benzoyl)-3-(substituted pyrazinyl) ureas ELI LILLY AND COMPANY (US) 1981-10-06 US disclosed
US-4160834-A INSECTICIDES ELI LILLY AND COMPANY (US) 1979-07-10 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 (7 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-12384773-B2 Thiazole compounds and methods of use thereof TPMT, CYP11B2, ABAT CA2 1936/4885CHKA 2207/4885TRPV4 2230/4885
US-12617802-B2 Sulfonimidamide compounds as NLRP3 modulators NLRP3, NLRP1, PYCARD CA2 1313/4885CHKA 4559/4885TRPV4 321/4885
US-20250145606-A1 THIAZOLE COMPOUNDS AND METHODS OF USE THEREOF TPMT, CYP11B2, ABAT CA2 1936/4885CHKA 2207/4885TRPV4 2230/4885
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R CA2 2005/4885CHKA 4704/4885TRPV4 2626/4885
US-20030069284-A1 Compounds useful for inhibiting Chk1 CHEK1, PCNA, CHEK2 CA2 4469/4885CHKA 159/4885TRPV4 4817/4885
US-20240092784-A1 CONDENSED HETEROCYCLIC COMPOUND SPR, QDPR, SUCNR1 CA2 2150/4885CHKA 2733/4885TRPV4 190/4885
US-20250230165-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER NQO1, VHL, SDHA CA2 3351/4885CHKA 1912/4885TRPV4 3679/4885

“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.