SCHEMBL8103834

SCHEMBL8103834

FC(F)(F)Oc1ccc(-c2cccnc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.65
CYP11B1 P15538 4/20 0.57
CYP11B2 P19099 4/20 0.57
ABL1 P00519 5/20 0.56
OPRM1 P35372 1/20 0.56
KCNH2 Q12809 1/20 0.56
KDR P35968 1/20 0.54
CYP3A4 P08684 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2A6 P11509 1/20 0.54
CHRM5 P08912 1/20 0.53
CYP19A1 P11511 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KIF11 P52732 1/20 0.51
CYP17A1 P05093 1/20 0.49

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
SCHEMBL22390547 0.85 NPY5R (0.50) NPY5RCYP11B1CYP11B2ABL1OPRM1
SCHEMBL14527315 0.85 ABL1 (0.63) NPY5RCYP11B1CYP11B2ABL1OPRM1
SCHEMBL23657861 0.83 NPC1 (0.68) NPY5RCYP11B1CYP11B2CYP3A4ALDH1A1
SCHEMBL13362351 0.83 NPY5R (0.67) NPY5RCYP11B1CYP11B2ABL1OPRM1
SCHEMBL30562384 0.83 NPY5R (0.67) NPY5RCYP11B1CYP11B2ABL1OPRM1
SCHEMBL13740924 0.80 NPY5R (0.52) NPY5RCYP11B1CYP11B2ABL1CYP3A4
SCHEMBL10059558 0.80 NPY5R (0.49) NPY5RCYP11B1CYP11B2ABL1OPRM1
SCHEMBL8103595 0.79 ABL1 (0.54) NPY5RABL1CHRM5KIF11SCN5A
SCHEMBL21490277 0.79 ROCK2 (0.62) CYP11B1CYP11B2ABL1OPRM1KCNH2
SCHEMBL8111753 0.79 KIF11 (0.56) NPY5RABL1CYP3A4CHRM5CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105524058-B Pyrazolo [1,5 a] pyridine compounds and their and its application 广州艾格生物科技有限公司 2018-03-27 CN claimed
US-20200275655-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2020-09-03 US disclosed
CN-106459022-B The preparation method of antifungal compound 北卡罗来纳维亚梅特制药公司 2019-08-02 CN disclosed
CN-105524058-B Pyrazolo [1,5 a] pyridine compounds and their and its application 广州艾格生物科技有限公司 2018-03-27 CN disclosed
CN-106459022-A Antifungal compound process 维亚梅特制药公司 2017-02-22 CN disclosed
CN-106231901-A Metal enzyme inhibitor compound as antifungal 美国陶氏益农公司 2016-12-14 CN disclosed
CN-102725290-B As the condensed heterocyclic compouds of ion channel modulators GILEAD SCIENCES, INC. (US) 2016-03-09 CN disclosed
EP-1019410-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2000-07-19 EP disclosed
US-6060469-A Spiro-piperidine derivatives and their use as tachykinin antagonists MERCK SHARP & DOHME LTD. (GB) 2000-05-09 US disclosed
EP-0808305-A1 3,4-DIARYL SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP disclosed
WO-1997019084-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 WO disclosed
WO-1996024585-A1 3,4-DIARYL SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 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 (1 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-20200275655-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT PRDX1, KCNQ5, KCNQ1 NPY5R 82/4885CYP11B1 1997/4885CYP11B2 1399/4885

“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.