SCHEMBL114699

SCHEMBL114699

O=CCc1ccc(F)nc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CYP2E1 P05181 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2B6 P20813 1/20 0.33
NFE2L2 Q16236 1/20 0.33
EPHX2 P34913 1/20 0.33
GRM2 Q14416 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2A P28223 1/20 0.32
KCNH2 Q12809 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL483726 0.84 CYP2A6 (0.44) CYP11B1CYP11B2CYP2E1CYP2A6CYP2B6
SCHEMBL15517011 0.82 CYP11B1 (0.40) CYP11B1CYP11B2CYP2E1CYP2A6CYP2B6
SCHEMBL3804734 0.81 CYP11B1 (0.42) CYP11B1CYP11B2CYP2E1CYP2A6CYP2B6
SCHEMBL1273680 0.77
SCHEMBL932015 0.77 KDM4E (0.38)
SCHEMBL16545841 0.76 CYP11B1 (0.39) CYP11B1CYP11B2NFE2L2HDAC1
SCHEMBL5509119 0.76 CYP11B1 (0.39) CYP11B1CYP11B2CYP2E1CYP2A6CYP2B6
SCHEMBL771164 0.75
SCHEMBL1092283 0.74 P4HTM (0.33)
SCHEMBL225716 0.74 CYP11B1 (0.43) CYP11B1GRM2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774789-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2021-02-17 EP disclosed
WO-2020064175-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION ANTABIO SAS (FR) 2020-04-02 WO disclosed
WO-2019195201-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2019-10-10 WO disclosed
EP-2794597-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2014-10-29 EP disclosed
EP-2678329-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS Array Biopharma, Inc. (US) 2014-01-01 EP disclosed
WO-2013123444-A1 SULFONYL COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN AMGEN INC. (US) 2013-08-22 WO disclosed
WO-2013093484-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 WO disclosed
WO-2012154274-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-11-15 WO disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
EP-2125815-A2 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-12-02 EP disclosed
US-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS WYETH (US) 2008-09-25 US disclosed
WO-2008116129-A2 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS WYETH (US) 2008-09-25 WO disclosed
EP-1846394-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS AstraZeneca AB (SE) 2007-10-24 EP disclosed
WO-2006082392-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-08-10 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-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, MTMR1 CYP11B1 1000/4885CYP11B2 963/4885CYP2E1 2152/4885

“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.