SCHEMBL13577

SCHEMBL13577

FC(F)(F)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.57
KIF11 P52732 1/20 0.56
CYP3A4 P08684 4/20 0.53
CYP3A5 P20815 3/20 0.53
NPC1 O15118 1/20 0.49
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPY5R Q15761 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
KCNA5 P22460 1/20 0.46

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
SCHEMBL7068828 1.00 CYP19A1 (0.57) CYP19A1KIF11CYP3A4CYP3A5NPC1
SCHEMBL29387897 1.00 CYP19A1 (0.57) CYP19A1KIF11CYP3A4CYP3A5NPC1
Lithium SCHEMBL30216964 0.98 CYP19A1 (0.55) CYP19A1KIF11CYP3A4CYP3A5NPC1
Water SCHEMBL27638122 0.98 CYP3A4 (0.56) CYP19A1KIF11CYP3A4CYP3A5NPC1
Hydrochloric Acid SCHEMBL21796041 0.98 CYP19A1 (0.55) CYP19A1KIF11CYP3A4CYP3A5NPC1
Ammonia Solution, Strong SCHEMBL28655959 0.98 CYP19A1 (0.55) CYP19A1KIF11CYP3A4CYP3A5NPC1
Benzene SCHEMBL29164330 0.98 CYP19A1 (0.55) CYP19A1KIF11CYP3A4CYP3A5NPC1
Bromide SCHEMBL29204966 0.98 CYP19A1 (0.55) CYP19A1KIF11CYP3A4CYP3A5NPC1
Lithium Ion SCHEMBL28974295 0.95 CYP19A1 (0.53) CYP19A1KIF11CYP3A4CYP3A5NPC1
Hydrazine SCHEMBL28287990 0.95 CYP19A1 (0.53) CYP19A1KIF11CYP3A4CYP3A5NPC1

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 1438 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503436-B2 Compounds and compositions for treating conditions associated with STING activity NOVARTIS PHARMA AG (CH) 2025-12-23 US claimed
EP-4644385-A1 TIPARP INHIBITOR COMPOUNDS AbbVie Inc. (US) 2025-11-05 EP claimed
WO-2025122636-A1 METHOD FOR THE SYNTHESIS OF ACRYLATE DERIVATIVES Orthobond Corporation (US) 2025-06-12 WO claimed
CN-119798147-A Preparation method of 3-trifluoromethyl pyridine 陕西中蓝化工科技新材料有限公司 2025-04-11 CN claimed
CN-119591507-A Gem-difluorocyclopentane compounds and methods of synthesizing the same 南通大学 2025-03-11 CN claimed
CN-118973277-A Tin-containing perovskite solar cell doped with 3-trifluoromethyl pyridine and preparation method thereof 嘉兴大学 2024-11-15 CN claimed
US-20240270748-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2024-08-15 US claimed
CN-118271259-A Organic single-molecule white light material based on 1,3, 5-triphenoxazine/thia/selenazine arene olefination 重庆大学 2024-07-02 CN claimed
EP-4105202-B1 METHOD FOR PREPARING 2-CHLORO-5-TRIFLUOROMETHYLPYRIDINE ZHEJIANG LANTIAN ENVIRONMENTAL PROT HI TECH CO LTD (CN) 2024-05-01 EP claimed
CN-114456134-B Alpha-fluoroalkyl substituted cyclopropyl alcohol compound, and preparation method and application thereof 武汉大学 2024-04-26 CN claimed
EP-0074192-A2 Chloro-trifluoromethyl pyridines IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-03-16 EP claimed
EP-0014033-B1 HALOGENATION OF PYRIDINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-02-16 EP claimed
EP-0065358-A1 Production of 3-trichloromethyl- and 3-trifluoromethyl-pyridines IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-24 EP claimed
US-4288599-A VAPOR PHASE HALOGENATION OF B-PICOLINE WITH CHLORINE AND HYDROGEN FLUORIDE ISHIHARA SANGYO KAISHA LTD. (JP) 1981-09-08 US claimed
US-4288600-A VAPOR PHASE CHLORINATION IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-09-08 US claimed
US-4284783-A Liquid phase preparation of 2-chloro-5-trifluoromethylpyridine and 2-chloro-5-perchlorofluoromethylpyridine IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-08-18 US claimed
US-4259496-A Halogenation of pyridine compounds IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-03-31 US claimed
US-4257857-A Liquid phase preparation of 2-chloro-5-trifluoromethylpyridine and 2-chloro-5-perchlorofluoromethylpyridine IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-03-24 US claimed
EP-0014033-A2 Halogenation of pyridine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-08-06 EP claimed
EP-0013474-A2 Preparation of 2-chloro-5-trifluoromethylpyridine IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-07-23 EP 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 (2 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-20240270748-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 CYP19A1 3057/4885KIF11 3116/4885CYP3A4 3835/4885
US-12503436-B2 Compounds and compositions for treating conditions associated with STING activity STING1, CGAS, IRF3 CYP19A1 3649/4885KIF11 4125/4885CYP3A4 4780/4885

“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.