SCHEMBL17801322

SCHEMBL17801322

Nc1cnc(C(F)(F)F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
CHKA P35790 1/20 0.47
GAA P10253 2/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPV4 Q9HBA0 1/20 0.39
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.37
LOX P28300 1/20 0.36
PLAU P00749 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CA P42336 2/20 0.34
PI4KB Q9UBF8 2/20 0.34

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
SCHEMBL30722292 1.00 CA2 (0.47) CA2CHKAGAAALDH1A1KDM4E
SCHEMBL3037202 0.82 CA2 (0.50) CA2CHKAALDH1A1KDM4ETRPV4
SCHEMBL29679747 0.82 CA2 (0.50) CA2CHKAALDH1A1KDM4ETRPV4
SCHEMBL24228137 0.78 CA2 (0.47) CA2CHKAGAAALDH1A1KDM4E
SCHEMBL30374789 0.77 UHRF1 (0.54) CA2CHKAKDM4ETRPV4CYP3A4
SCHEMBL1506481 0.77 UHRF1 (0.54) CA2CHKAKDM4ETRPV4CYP3A4
SCHEMBL2225528 0.77 CA2 (0.45) CA2CHKAALDH1A1KDM4ETRPV4
SCHEMBL12098259 0.77 CA2 (0.45) CA2CHKAALDH1A1KDM4EPOLB
SCHEMBL16235385 0.77 CA2 (0.45) CA2CHKAALDH1A1KDM4ETRPV4
SCHEMBL30033660 0.77 CA2 (0.45) CA2CHKAALDH1A1KDM4EPOLB

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024079623-A1 TRICYCLIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2024-04-18 WO disclosed
US-20240108006-A1 PESTICIDALLY ACTIVE HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-04-04 US disclosed
WO-2024022910-A1 1-[1-[2-(PYRIMIDIN-4-YL)-1,2,4-TRIAZOL-3-YL]ETHYL]-3-[2,4-DICHLORO-5-PHENYL]UREA DERIVATIVES AND SIMILAR COMPOUNDS AS PESTICIDES SYNGENTA CROP PROTECTION AG (CH) 2024-02-01 WO disclosed
CN-117425657-A Triazolo-pyrimidine analogs for the treatment of diseases associated with inhibition of Wonna syndrome RECzochralski enzyme (WRN) 诺华股份有限公司 2024-01-19 CN disclosed
CN-117412961-A Pesticidally active heteroaromatic compounds 先正达农作物保护股份公司 2024-01-16 CN disclosed
EP-4281185-A2 PESTICIDALLY ACTIVE HETEROAROMATIC COMPOUNDS Syngenta Crop Protection AG (CH) 2023-11-29 EP disclosed
WO-2022157188-A2 PESTICIDALLY ACTIVE HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-07-28 WO disclosed
US-20180282347-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-04 US disclosed
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 US disclosed
EP-3292107-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2018-03-14 EP disclosed
EP-3227301-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016177658-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-10 WO disclosed
WO-2016087417-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 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 (3 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-20180282347-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 CA2 3307/4885CHKA 1596/4885GAA 2397/4885
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES C1R, C9, C1S CA2 3945/4885CHKA 2550/4885GAA 1029/4885
US-20240108006-A1 PESTICIDALLY ACTIVE HETEROAROMATIC COMPOUNDS DDT, ACHE, GSTO1 CA2 277/4885CHKA 1019/4885GAA 2332/4885

“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.