SCHEMBL526801

SCHEMBL526801

Nc1ccc(-c2cncc3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 3/20 1.00
CYP11B1 P15538 11/20 0.53
CYP11B2 P19099 11/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2B6 P20813 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
ROCK2 O75116 1/20 0.47
NAMPT P43490 1/20 0.47
CYP17A1 P05093 1/20 0.47
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
ERN1 O75460 1/20 0.46
CCNC P24863 1/20 0.44
FLT3 P36888 1/20 0.44
CDK8 P49336 1/20 0.44
MYLK Q15746 1/20 0.44
AURKB Q96GD4 1/20 0.44

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
SCHEMBL12074301 0.85 PRKCZ (0.73) PRKCZCYP11B1CYP11B2CYP2D6CYP2C9
SCHEMBL29501875 0.84 PRKCZ (0.72) PRKCZCYP11B1CYP11B2CYP2D6CYP2C9
SCHEMBL6243938 0.84 PRKCZ (0.72) PRKCZCYP11B1CYP11B2CYP2D6CYP2C9
SCHEMBL6804833 0.82 PRKCZ (0.70) PRKCZCYP11B1CYP11B2CYP2D6CYP2C9
SCHEMBL10806364 0.82 PRKCZ (0.69) PRKCZCYP11B1CYP11B2CYP2D6CYP2C9
SCHEMBL12074902 0.81 PRKCZ (0.69) PRKCZCYP11B1CYP11B2CYP2D6CYP2C9
SCHEMBL12386960 0.81 PRKCZ (0.69) PRKCZCYP11B1CYP11B2CYP2D6CYP2C9
SCHEMBL971084 0.81 PRKCZ (0.69) PRKCZCYP11B1CYP11B2CYP2D6CYP2C9
SCHEMBL38660559 0.81 PRKCZ (0.69) PRKCZCYP11B1CYP11B2CYP2D6CYP2C9
SCHEMBL12919982 0.81 PRKCZ (0.68) PRKCZCYP11B1CYP11B2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3291323-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2018-03-07 EP disclosed
EP-3240057-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2017-11-01 EP disclosed
CN-105073741-B Phthalazinones and isoquinolinones as ROCK inhibitors 百时美施贵宝公司 2017-08-08 CN disclosed
US-9573887-B2 Naphthalene derivative DAITO CHEMIX CORPORATION (JP) 2017-02-21 US disclosed
EP-2599771-B1 NAPHTHALENE DERIVATIVE DAITO CHEMIX CORP (JP) 2016-09-14 EP disclosed
EP-2598481-B1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-31 EP disclosed
EP-2598481-B1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-31 EP disclosed
EP-3029034-A1 BENZOTRIAZOLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2016-06-08 EP disclosed
CN-105073741-A Phthalazinones and isoquinolinones as rock inhibitors BRISTOL MYERS SQUIBB CO 2015-11-18 CN disclosed
WO-2015099438-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2015-07-02 WO disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
CN-103313968-A Nampt and rock inhibitors ABBVIE LAB 2013-09-18 CN disclosed
US-20130184241-A1 Naphthalene Derivative KYOTO UNIVERSITY (JP) 2013-07-18 US disclosed
WO-2013100497-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-07-04 WO disclosed
EP-2599771-A1 NAPHTHALENE DERIVATIVE Daito Chemix Corporation (JP) 2013-06-05 EP disclosed
EP-2598481-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS Bristol-Myers Squibb Company (US) 2013-06-05 EP disclosed
WO-2012015723-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-02 WO disclosed
WO-2012015723-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-02 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 (2 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-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS SULT1A1, SULT2A1, SULT1E1 PRKCZ 3689/4885CYP11B1 22/4885CYP11B2 38/4885
US-20130184241-A1 Naphthalene Derivative VCP, NOC2L, VAT1 PRKCZ 2498/4885CYP11B1 378/4885CYP11B2 468/4885

“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.