SCHEMBL62020

SCHEMBL62020

Nc1ccc(Cc2ccncc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 7/20 0.87
CYP11B1 P15538 6/20 0.87
CYP11B2 P19099 6/20 0.87
CYP3A4 P08684 4/20 0.87
CYP19A1 P11511 4/20 0.87
ALDH1A1 P00352 3/20 0.70
TSHR P16473 2/20 0.70
TDP1 Q9NUW8 1/20 0.70
MEN1 O00255 1/20 0.57
LMNA P02545 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 1/20 0.57
CHRM1 P11229 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
KCNA1 Q09470 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
LOXL2 Q9Y4K0 2/20 0.52
POLB P06746 1/20 0.50
RAB9A P51151 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
SCHEMBL13873567 0.87 CYP17A1 (0.65) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL61924 0.85 GFER (0.70) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
4,4'-Methylenedianiline SCHEMBL2851475 0.84 CYP3A4 (0.88) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
4,4'-Methylenedianiline SCHEMBL6907269 0.84 CYP3A4 (0.88) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL3482770 0.84 CYP3A4 (1.00) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
4,4'-Methylenedianiline SCHEMBL28001 0.84 CYP3A4 (1.00) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL6362775 0.84 CYP3A4 (1.00) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL8094139 0.84 CYP3A4 (1.00) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL1304762 0.84 CYP3A4 (1.00) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL721736 0.84 CYP17A1 (0.61) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250114460-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2025-04-10 US disclosed
US-20240279215-A1 NAMPT MODULATORS CYTOKINETICS, INCORPORATED 2024-08-22 US disclosed
EP-4384520-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2024-06-19 EP disclosed
CN-118076607-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed
US-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS SAINT LOUIS UNIVERSITY (US) 2024-04-11 US disclosed
CN-117843569-A Isoquinoline acrylamide CDK8 inhibitor, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2024-04-09 CN disclosed
WO-2024028169-A1 NOVEL SPECIFICALLY SUBSTITUTED THIOPHENOLIC COMPOUNDS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2024-02-08 WO disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
WO-2023017442-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
EP-0763535-A1 Piperidinylmethyloxazolidin-2-one derivatives, their preparation and their use as pharmacological active CNS compounds MERCK PATENT GmbH (DE) 1997-03-19 EP disclosed
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 EP disclosed
US-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 US disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 WO disclosed
EP-0089394-A1 1-H-Indole-2,3-dione derivatives and preparation thereof STERLING DRUG INC. (US) 1983-09-28 EP disclosed
EP-0056260-A1 Pyridinyl-substituted-benz imidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-21 EP disclosed
EP-0055453-A2 5-(Pyridinyl)-benzimidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-07 EP disclosed
US-4335132-A 5-(Py-Y)-1H-benzimidazol-2-ols and 5-(Py-Y-)-1H-benzimidazole-2-thiols STERLING DRUG, INC. (US) 1982-06-15 US disclosed
US-4331671-A 5-(Pyridinyl)-1H-benzimidazoles and 1-hydroxy-6-(pyridinyl)-1H-benzimidazoles and their cardiotonic use STERLING DRUG INC. (US) 1982-05-25 US disclosed
US-4322533-A CARDIOTONIC, BRONCHODILATOR, AND ANTICHLOLINERGIC AGENTS; ANTIMISTAMINES; ANTIALLERGENS STERLING DRUG INC. 1982-03-30 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 (4 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-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 CYP17A1 3048/4885CYP11B1 966/4885CYP11B2 693/4885
US-20240279215-A1 NAMPT MODULATORS NAMPT, SIRT1, NNT CYP17A1 1443/4885CYP11B1 210/4885CYP11B2 305/4885
US-20250114460-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 CYP17A1 2682/4885CYP11B1 3615/4885CYP11B2 3804/4885
US-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS ABCC1, ARG1, SLC11A2 CYP17A1 4610/4885CYP11B1 2556/4885CYP11B2 2242/4885

“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.