SCHEMBL830187

SCHEMBL830187

CCc1ccnc(CC)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
ADORA2A P29274 4/20 0.35
ADORA1 P30542 4/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
NOS3 P29474 3/20 0.34
NOS2 P35228 3/20 0.34
NOS1 P29475 1/20 0.34
MAP4K4 O95819 1/20 0.34
SREBF1 P36956 1/20 0.33
SREBF2 Q12772 1/20 0.33
SORD Q00796 1/20 0.31
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
PARP1 P09874 1/20 0.30

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
Ammonia Solution, Strong SCHEMBL28652832 0.98 CYP1A2 (0.36) CYP1A2POLBADORA2AADORA1ADORA3
Ammonia Solution, Strong SCHEMBL11451734 0.96 CYP1A2 (0.35) CYP1A2POLBADORA2AADORA1ADORA3
Boric Acid SCHEMBL29064826 0.92 CYP1A2 (0.37) CYP1A2POLBADORA2AADORA1ADORA3
Boric Acid SCHEMBL30508488 0.92 CYP1A2 (0.37) CYP1A2POLBADORA2AADORA1ADORA3
Formamide SCHEMBL29265659 0.88 CYP1A2 (0.35) CYP1A2POLBADORA2AADORA1ADORA3
SCHEMBL3350060 0.85 LOXL2 (0.38) CYP1A2POLBADORA2AADORA1ADORA3
SCHEMBL12344118 0.85 CCR1 (0.40) CYP1A2POLBADORA2AADORA1ADORA3
SCHEMBL28806573 0.85 MAP4K4 (0.35) CYP1A2POLBNOS3NOS2NOS1
SCHEMBL25987002 0.85 SORD (0.47) CYP1A2POLBSORD
SCHEMBL16248159 0.85 KDM4E (0.37) CYP1A2POLBNOS3NOS2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103718372-A Nonaqueous electrolyte and lithium secondary battery using the same LG CHEMICAL LTD 2014-04-09 CN claimed
US-20250122402-A1 LONG SHELF-LIFE STABLE MASS POLYMERIZABLE POLYCYCLOOLEFIN COMPOSITIONS CONTAINING PYRIDINE LIGATED PALLADIUM COMPOUNDS PROMERUS, LLC (US) 2025-04-17 US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
WO-2023150394-A1 METHODS FOR TREATMENT OF CANCER FRONTIER MEDICINES CORPORATION (US) 2023-08-10 WO disclosed
US-11276825-B2 Organic molecules for use in organic devices CYNORA GMBH (DE) 2022-03-15 US disclosed
CN-113226247-A Resin composition for stereolithography 可乐丽则武齿科株式会社 2021-08-06 CN disclosed
EP-3143005-B1 CHEMOKINE CXCR4 AND CCR5 RECEPTOR MODULATORS AND USED RELATED THERETO UNIV EMORY (US) 2021-07-07 EP disclosed
US-20210184134-A1 ORGANIC MOLECULES FOR USE IN ORGANIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-17 US disclosed
US-10450293-B2 Chemokine CXCR4 and CCR5 receptor modulators and uses related thereto EMORY UNIVERSITY (US) 2019-10-22 US disclosed
EP-3279193-B1 COMPOUNDS COMPRISING A PHTHALIMIDE GROUP AND CARBAZOLE OR ITS ANALOGUES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-05-08 EP disclosed
US-4871848-A OIL, GAS WELLS CORROSION INHIBITORS THE DOW CHEMICAL COMPANY (US) 1989-10-03 US disclosed
EP-0276406-A1 Substituted 4-amino-pyrimidines BAYER AG (DE) 1988-08-03 EP disclosed
US-4740320-A REACTION OF NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPONENT, KETONE OR ALDEHYDE, AMINE OR POLYAMINE THE DOW CHEMICAL COMPANY (US) 1988-04-26 US disclosed
US-4725373-A CORROSION RESISTANCE FOR METAL TOOLS AND EQUIPMENT USED IN OIL AND GAS WELLS THE DOW CHEMICAL COMPANY (US) 1988-02-16 US disclosed
US-4724003-A Asphalt compositions containing anti-stripping additives prepared from hydrocarbyl substituted nitrogen-containing aromatic heterocyclic compounds, aldehydes or ketones and amines THE DOW CHEMICAL COMPANY (US) 1988-02-09 US disclosed
US-4704176-A Method of bonding polyurethane to cured rubber THE GOODYEAR TIRE & RUBBER COMPANY (US) 1987-11-03 US disclosed
US-4676834-A Novel compositions prepared from methyl substituted nitrogen-containing aromatic heterocyclic compounds and an aldehyde or ketone THE DOW CHEMICAL COMPANY (US) 1987-06-30 US disclosed
US-4669517-A APPLYING CYANURIC ACID AND PHENOL-FORMALDEHYDE RESIN THE GOODYEAR TIRE & RUBBER COMPANY (US) 1987-06-02 US disclosed
EP-0157717-A2 Polyurethane bonded to cured rubber THE GOODYEAR TIRE & RUBBER COMPANY (US) 1985-10-09 EP disclosed
EP-0156754-A2 Polyurethane bonded to cured rubber containing a diene polyol THE GOODYEAR TIRE & RUBBER COMPANY (US) 1985-10-02 EP 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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 CYP1A2 1064/4885POLB 4692/4885ADORA2A 3698/4885
US-20210184134-A1 ORGANIC MOLECULES FOR USE IN ORGANIC DEVICES CHRM1, C1S, DNMT3L CYP1A2 188/4885POLB 726/4885ADORA2A 1193/4885
US-10450293-B2 Chemokine CXCR4 and CCR5 receptor modulators and uses related thereto CXCR4, CCR5, CXCR3 CYP1A2 3862/4885POLB 3913/4885ADORA2A 72/4885
US-11276825-B2 Organic molecules for use in organic devices AOX1, OR10J3, L1CAM CYP1A2 43/4885POLB 733/4885ADORA2A 206/4885

“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.