SCHEMBL4043333

SCHEMBL4043333

NC(=O)c1ccncc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
SIRT3 Q9NTG7 2/20 0.50
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KDM6B O15054 1/20 0.43
KDM4A O75164 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
KDM4D Q6B0I6 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.41
CD38 P28907 1/20 0.41
CYP11B2 P19099 2/20 0.40
MAP4K4 O95819 2/20 0.40
PIM1 P11309 2/20 0.40

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
SCHEMBL31144930 1.00 TDP1 (0.50) TDP1SIRT3KDM4EKMT2AALDH1A1
Butyramide SCHEMBL27747502 0.87 TDP1 (0.43) TDP1SIRT3KDM4EKMT2AALDH1A1
SCHEMBL1966341 0.85 SIRT3 (0.55) TDP1SIRT3KDM4EKMT2AALDH1A1
SCHEMBL30271093 0.85 SIRT3 (0.55) TDP1SIRT3KDM4EKMT2AALDH1A1
Methane SCHEMBL27522509 0.84 SIRT3 (0.53) TDP1SIRT3KDM4EKMT2AALDH1A1
SCHEMBL115907 0.83 KDM4C (0.53) TDP1KDM4EKMT2AALDH1A1MEN1
SCHEMBL30017034 0.83 KDM4C (0.53) TDP1KDM4EKMT2AALDH1A1MEN1
SCHEMBL1025669 0.81 NPC1 (0.46) TDP1SIRT3KDM4EKMT2AALDH1A1
Hydrochloric Acid SCHEMBL1025670 0.81 KDM4C (0.52) TDP1KDM4EKMT2AALDH1A1MEN1
SCHEMBL13990716 0.81 TDP1 (0.55) TDP1SIRT3KDM4EKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3710444-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-09-23 EP claimed
EP-2681194-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-01-08 EP claimed
WO-2012117000-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-07 WO claimed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP claimed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO claimed
US-12630533-B2 Heterocyclic compounds useful as KCNT1 inhibitors ACTIO BIOSCIENCES, INC. (US) 2026-05-19 US disclosed
US-12552748-B2 Pyridine (thio)amides as fungicidal compounds BAYER AKTIENGESELLSCHAFT (DE) 2026-02-17 US disclosed
US-20250313548-A1 HETEROCYCLIC COMPOUNDS USEFUL AS KCNT1 INHIBITORS ACTIO BIOSCIENCES, INC. 2025-10-09 US disclosed
US-20240182467-A1 INHIBITORS OF RAF KINASES Pierre Fabre Médicament (FR) 2024-06-06 US disclosed
US-11814384-B2 Inhibtors of Raf kinases KINNATE BIOPHARMA INC. (US) 2023-11-14 US disclosed
US-20230348392-A1 PYRIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-02 US disclosed
WO-2023070053-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2023-04-27 WO disclosed
US-20150057277-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2015-02-26 US disclosed
WO-2014151616-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2014-09-25 WO disclosed
EP-2681194-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-01-08 EP disclosed
WO-2012117000-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-07 WO disclosed
EP-2490538-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS Sumitomo Chemical Company, Limited (JP) 2012-08-29 EP disclosed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP disclosed
CN-101351467-A 3- (substituted amino) -pyrazolo [3, 4-d ] pyrimidines as EphB and VEGFR2 kinase inhibitors NOVARTIS AG (CH) 2009-01-21 CN disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 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 (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-20240182467-A1 INHIBITORS OF RAF KINASES BRAF, RAF1, ARAF TDP1 1712/4885SIRT3 4005/4885KDM4E 1831/4885
US-20250313548-A1 HETEROCYCLIC COMPOUNDS USEFUL AS KCNT1 INHIBITORS KCNT1, KCNT2, KCNN3 TDP1 3206/4885SIRT3 705/4885KDM4E 1709/4885
US-20150057277-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS PDXK, DCK, CHEK1 TDP1 1323/4885SIRT3 1272/4885KDM4E 1204/4885
US-20230348392-A1 PYRIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS PNPO, TST, TPMT TDP1 948/4885SIRT3 318/4885KDM4E 805/4885
US-12630533-B2 Heterocyclic compounds useful as KCNT1 inhibitors KCNT1, KCNT2, KCNJ2 TDP1 4595/4885SIRT3 621/4885KDM4E 2324/4885
US-12552748-B2 Pyridine (thio)amides as fungicidal compounds CBR1, CBR3, TH TDP1 1901/4885SIRT3 436/4885KDM4E 1771/4885
US-11814384-B2 Inhibtors of Raf kinases RAF1, BRAF, ARAF TDP1 2312/4885SIRT3 3147/4885KDM4E 3091/4885

“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.