SCHEMBL9465482

SCHEMBL9465482

N#Cc1cc(C(F)(F)F)cc(Br)c1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
AR P10275 9/20 0.35
TRPV4 Q9HBA0 1/20 0.34
KIF11 P52732 2/20 0.33
CES2 O00748 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
PTPN11 Q06124 1/20 0.31
TAS2R14 Q9NYV8 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL31435045 1.00 CYP11B1 (0.36) CYP11B1CYP11B2ARTRPV4KIF11
SCHEMBL9314066 0.80 CYP11B1 (0.41) CYP11B1CYP11B2ARTRPV4KIF11
SCHEMBL9581295 0.79 AR (0.35) CYP11B1CYP11B2ARKIF11CES2
SCHEMBL9581992 0.79 ADRB2 (0.41) CYP11B1CYP11B2ARKIF11CES2
SCHEMBL130429 0.79 AR (0.37) CYP11B1CYP11B2ARKIF11RIPK1
SCHEMBL9464895 0.79 CES2 (0.37) CES2RIPK1
SCHEMBL31195171 0.77 AR (0.42) CYP11B1CYP11B2ARTRPV4
SCHEMBL9465161 0.77 AR (0.42) CYP11B1CYP11B2ARTRPV4
SCHEMBL9730417 0.75 AR (0.39) CYP11B1CYP11B2ARTRPV4KIF11
SCHEMBL21455387 0.75 TRPV4 (0.39) CYP11B1CYP11B2TRPV4

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
EP-0398499-A2 Insecticides ZENECA LIMITED (GB) 1990-11-22 EP claimed
EP-4558492-A1 3-(6-PYRIDIN-3-YL)-2-[4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDIN-1-YL]BENZONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS QPCTL AND QPCT INHIBITORS FOR THE TREATMENT OF CANCER 858 Therapeutics, Inc. (US) 2025-05-28 EP disclosed
US-20240101544-A1 INHIBITORS OF QPCTL AND QPCT 858 THERAPEUTICS, INC. 2024-03-28 US disclosed
WO-2024020517-A1 3-(6-PYRIDIN-3-YL)-2-[4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDIN-1-YL]BENZONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS QPCTL AND QPCT INHIBITORS FOR THE TREATMENT OF CANCER 858 THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
WO-2024020517-A1 3-(6-PYRIDIN-3-YL)-2-[4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDIN-1-YL]BENZONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS QPCTL AND QPCT INHIBITORS FOR THE TREATMENT OF CANCER 858 THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
EP-0553119-A1 HETEROCYCLIC COMPOUNDS ZENECA LIMITED (GB) 1993-08-04 EP disclosed
US-5196593-A HALOGENATED TRIFLUOROMETHYLBENZENES OCCIDENTAL CHEMICAL CORPORATION (US) 1993-03-23 US disclosed
US-5187176-A 1-PHENYL SUBSTITUTED PYRIMIDONE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-16 US disclosed
WO-1992006964-A1 HETEROCYCLIC COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-30 WO disclosed
US-5109004-A Cyano phenyl-substituted with heterocylic compound; insecticides, miticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-28 US 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
EP-0398499-A2 Insecticides ZENECA LIMITED (GB) 1990-11-22 EP 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-20240101544-A1 INHIBITORS OF QPCTL AND QPCT ACAT1, ACAT2, LCAT CYP11B1 658/4885CYP11B2 725/4885AR 3775/4885

“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.