SCHEMBL10084152

SCHEMBL10084152

Cc1cncnc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.35
CYP11B2 P19099 4/20 0.35
CYP19A1 P11511 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP17A1 P05093 1/20 0.33
COMT P21964 1/20 0.33
HDAC8 Q9BY41 1/20 0.31
AGBL2 Q5U5Z8 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
SCHEMBL13784460 0.83 CYP11B1 (0.30) CYP11B1CYP11B2
SCHEMBL1106088 0.79 DGAT1 (0.35) CYP19A1CYP3A4CYP2D6CYP1A2
SCHEMBL21828955 0.74 TRPV4 (0.37) CYP11B1CYP11B2CYP19A1CYP3A4CYP2D6
SCHEMBL21453401 0.74 CYP3A4 (0.36) CYP11B1CYP11B2CYP19A1CYP3A4CYP2D6
SCHEMBL25401613 0.73 CYP17A1 (0.33) CYP11B1CYP11B2CYP19A1CYP3A4CYP2D6
SCHEMBL21918095 0.73 CYP1A2 (0.33) CYP11B1CYP11B2CYP19A1CYP3A4CYP2D6
SCHEMBL28014496 0.73 CYP19A1 (0.35) CYP11B1CYP11B2CYP19A1CYP3A4CYP2D6
SCHEMBL359312 0.73 CYP1A2 (0.33) CYP11B1CYP11B2CYP19A1CYP3A4CYP2D6
SCHEMBL29447929 0.73 CYP1A2 (0.33) CYP11B1CYP11B2CYP19A1CYP3A4CYP2D6
SCHEMBL16592100 0.72 VNN1 (0.38) CYP11B1CYP11B2CYP19A1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024112853-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-05-30 WO disclosed
US-11780861-B2 Phosphine reagents for azine fluoroalkylation COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2023-10-10 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
US-20230167062-A1 AMIDE COMPOUND CONTAINING SUBSTITUTED ACETOPHENONE STRUCTURAL FRAGMENTS AND PREPARATION METHOD AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2023-06-01 US disclosed
EP-4052576-A1 AMIDE COMPOUND CONTAINING SUBSTITUTED ACETOPHENONE STRUCTURE FRAGMENT, PREPARATION METHOD THEREFOR AND USE THEREOF Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2022-09-07 EP disclosed
US-10207985-B2 Compounds SYNGENTA PARTICIPATIONS AG (CH) 2019-02-19 US disclosed
EP-3019476-B1 4-MEMBERED RING CARBOXAMIDES USED AS NEMATICIDES SYNGENTA PARTICIPATIONS AG (CH) 2018-01-17 EP disclosed
US-9867371-B2 4-membered ring carboxamides used as nematicides SYNGENTA PARTICIPATIONS AG (CH) 2018-01-16 US disclosed
WO-2014191737-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS REDX PHARMA LIMITED (GB) 2014-12-04 WO disclosed
US-8114879-B2 4-piperazine-4-piperidine-1-ketone derivatives; graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2012-02-14 US disclosed
US-7566683-B2 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-07-28 US disclosed
US-7566683-B2 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-07-28 US disclosed
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-08-07 US disclosed
US-7384944-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 US disclosed
US-20070179295-A1 Triazolopyrimidines BAYER CROPSCIENCE AG (DE) 2007-08-02 US disclosed
US-20070179295-A1 Triazolopyrimidines BAYER CROPSCIENCE AG (DE) 2007-08-02 US disclosed
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-01 US disclosed
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-01 US 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 (8 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-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR2 CYP11B1 1746/4885CYP11B2 1823/4885CYP19A1 2863/4885
US-20230167062-A1 AMIDE COMPOUND CONTAINING SUBSTITUTED ACETOPHENONE STRUCTURAL FRAGMENTS AND PREPARATION METHOD AND APPLICATION THEREOF AADAC, AAK1, ACLY CYP11B1 1485/4885CYP11B2 1596/4885CYP19A1 1974/4885
US-20070179295-A1 Triazolopyrimidines QDPR, DPYD, CYP1B1 CYP11B1 1067/4885CYP11B2 895/4885CYP19A1 1722/4885
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL CYP11B1 1333/4885CYP11B2 1413/4885CYP19A1 196/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 CYP11B1 1357/4885CYP11B2 1325/4885CYP19A1 1460/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 CYP11B1 669/4885CYP11B2 736/4885CYP19A1 922/4885
US-11780861-B2 Phosphine reagents for azine fluoroalkylation PTPN3, PHOSPHO1, SKIC3 CYP11B1 4620/4885CYP11B2 4537/4885CYP19A1 4575/4885
US-10207985-B2 Compounds CYP1B1, DDT, CYP1A1 CYP11B1 40/4885CYP11B2 29/4885CYP19A1 45/4885

“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.