SCHEMBL277055

SCHEMBL277055

Oc1cccc2[nH]ncc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 4/20 0.59
▸ AXL P30530 2/20 0.59
▸ IDO1 P14902 3/20 0.55
▸ METAP2 P50579 1/20 0.53
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ NPC1 O15118 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ BRD4 O60885 1/20 0.41
▸ DHPS P49366 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
Hydrochloric Acid SCHEMBL6647093 0.98 NOS1 (0.57) NOS1AXLIDO1METAP2JAK2
SCHEMBL10593107 0.84 NOS1 (0.47) NOS1AXLIDO1METAP2JAK2
Tert-Butyl Formate SCHEMBL27831645 0.81 IDO1 (0.46) NOS1AXLIDO1METAP2JAK2
SCHEMBL12601112 0.76 NOS1 (0.61) NOS1AXLIDO1METAP2JAK2
SCHEMBL16720263 0.75 METAP2 (0.50) NOS1AXLIDO1METAP2JAK2
SCHEMBL21437262 0.74 NOS1 (0.44) NOS1AXLIDO1METAP2CDK2
SCHEMBL18193497 0.74 NOS1 (0.59) NOS1AXLIDO1METAP2JAK2
SCHEMBL4314318 0.74 NOS1 (1.00) NOS1AXLIDO1METAP2JAK2
SCHEMBL907863 0.74 NOS1 (0.59) NOS1AXLIDO1METAP2JAK2
SCHEMBL5951586 0.74 AXL (0.63) NOS1AXLIDO1METAP2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105734586-B A kind of organic-silicon-modified corrosion inhibitor and preparation method thereof 中国石油化工股份有限公司 2018-04-10 — — CN claimed
CN-105734586-A Organosilicon-modified corrosion inhibitor and preparation method thereof 中国石油化工股份有限公司 2016-07-06 — — CN claimed
WO-2013086397-A1 UREA COMPOUNDS AS GKA ACTIVATORS ARRAY BIOPHARMA INC. (US) 2013-06-13 — — WO claimed
WO-2007071686-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, AN OXIDATION BASE AND A PARTICULAR COUPLER L'ORÉAL (FR) 2007-06-28 — — WO claimed
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses L'OREAL (FR) 2004-11-25 — — US claimed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 — — EP claimed
EP-4735425-A1 COMPOUNDS Psylo Pty Ltd (AU) 2026-05-06 — — EP disclosed
EP-4735440-A1 KRAS INHIBITORS Bristol-Myers Squibb Company (US) 2026-05-06 — — EP disclosed
US-20250333406-A1 SULFONYL CYCLIC DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYSOWAY THERAPEUTICS INC (US) 2025-10-30 — — US disclosed
US-20250248998-A1 LRRK2 Inhibitors Brenig Therapeutics, Inc. 2025-08-07 — — US disclosed
EP-4540255-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2025-04-23 — — EP disclosed
EP-4540254-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2025-04-23 — — EP disclosed
EP-4504722-A2 LRRK2 INHIBITORS Brenig Therapeutics, Inc. (US) 2025-02-12 — — EP disclosed
US-4438128-A ADRENERGIC BLOCKERS BOEHRINGER MANNHEIM GMBH (DE) 1984-03-20 — — US disclosed
EP-0042593-A1 Aryloxy-propanol amines, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1981-12-30 — — EP disclosed
EP-0042592-A1 N-heteroarylalkylene diamines, process for their preparation and their use Roche Diagnostics GmbH (DE) 1981-12-30 — — EP disclosed
US-4168953-A Oxidation hair dyes based upon tetraaminopyrimidine developers and monohydroxyindazole couplers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1979-09-25 — — US disclosed
US-4143149-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1979-03-06 — — US disclosed
US-3939084-A Functional fluid compositions containing substituted pyrimidines MONSANTO COMPANY (US) 1976-02-17 — — US disclosed
US-3931298-A FROM A HYDROXYAROMATIC AND AMMONIA, GROUP 8-CYCLOHEXANONE CATALYST ETHYL CORPORATION (US) 1976-01-06 — — 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 (3 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-20250248998-A1 LRRK2 Inhibitors LRRK2, PARK7, PINK1 NOS1 3610/4885AXL 4268/4885IDO1 2676/4885
US-20250333406-A1 SULFONYL CYCLIC DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF STOML2, ATP2A3, ATP2A1 NOS1 4223/4885AXL 2312/4885IDO1 4856/4885
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses KRT18, CDC73, PYCR1 NOS1 2710/4885AXL 3140/4885IDO1 1375/4885

“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.

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