SCHEMBL564720

SCHEMBL564720

COc1ccncc1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP2E1 P05181 1/20 0.56
CYP2A6 P11509 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2B6 P20813 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
USP2 O75604 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CLK1 P49759 3/20 0.44
CLK2 P49760 3/20 0.44
DYRK1A Q13627 3/20 0.44
CLK4 Q9HAZ1 3/20 0.44
DYRK1B Q9Y463 2/20 0.44
CLK3 P49761 1/20 0.44
CDK5 Q00535 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
SCHEMBL29530749 1.00 CYP1A2 (0.56) CYP1A2CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL29530397 0.87 CYP1A2 (0.44) CYP1A2CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL29530507 0.84 CLK1 (0.44) CYP1A2CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL1024738 0.84 CLK1 (0.44) CYP1A2CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL1606431 0.82 CYP1A2 (0.57) CYP1A2CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL11640386 0.81 ALDH1A1 (0.40) CYP1A2CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL3251286 0.80 CYP1A2 (0.56) CYP1A2CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL3785439 0.80 ALDH1A1 (0.42) CYP1A2CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL30751778 0.79 XDH (0.45) ALDH1A1SMN1; SMN2HTT
SCHEMBL249967 0.79 CA12 (0.49) CYP1A2CYP2E1CYP2A6CYP2C9CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117551029-B Synthesis method of 4-bromo-3-cyanopyridine HENAN UNIVERSITY (CN) 2026-05-26 CN claimed
CN-117551029-A Synthesis method of 4-bromo-3-cyanopyridine 河南大学 2024-02-13 CN claimed
CN-110139862-B Substituted bicyclic heterocyclic derivatives useful as ROMK channel inhibitors 百时美施贵宝公司 2024-01-16 CN claimed
CN-116940354-A Fused heteroaryl compounds and their use as CaMKII inhibitors 卡都瑞恩医药股份有限公司 2023-10-24 CN claimed
US-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US claimed
CN-110759860-B Preparation method of 3-methyl formate-4-methoxy-5-cyanopyridine 江苏瑞科医药科技有限公司 2022-10-14 CN claimed
CN-111153825-A Method for preparing amide compound by using supported metal oxide catalytic material 浙江大学 2020-05-15 CN claimed
EP-3207030-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2017-08-23 EP claimed
WO-2016060941-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-04-21 WO claimed
WO-2004084801-A2 TREATMENTS FOR LEISHMANIASIS SMITHSONIAN TROPICAL RESEARCH INSTITUTE (US) 2004-10-07 WO claimed
CN-117551029-B Synthesis method of 4-bromo-3-cyanopyridine HENAN UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-117551029-B Synthesis method of 4-bromo-3-cyanopyridine HENAN UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-122068113-A Battery monomer, preparation method thereof, battery device and energy storage device 浙江晶科储能有限公司 2026-05-19 CN disclosed
CN-118001338-A A Chinese medicinal composition for treating breast nodule and hyperplasia of mammary glands, and its preparation method 哈尔滨医科大学 2024-05-10 CN disclosed
US-20240101535-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2024-03-28 US disclosed
US-20040248883-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2004-12-09 US disclosed
EP-1432706-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
EP-1005446-B1 N-AROYLPHENYLALANINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-02-25 EP disclosed
EP-1348706-A1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-01 EP disclosed
WO-2003027085-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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-20240101535-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF WDR5, WDR1, WDR77 CYP1A2 2860/4885CYP2E1 2551/4885CYP2A6 3159/4885
US-20040248883-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR1A CYP1A2 316/4885CYP2E1 230/4885CYP2A6 620/4885

“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.