SCHEMBL514720

SCHEMBL514720

c1cncc(-c2nnc[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2E1 P05181 2/20 0.52
CYP2B6 P20813 2/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KDM4E B2RXH2 3/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
BTK Q06187 1/20 0.47
NPY5R Q15761 2/20 0.46

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
SCHEMBL27895955 0.83 CYP2A6 (0.48) CYP2A6ALDH1A1CYP3A4CYP1A2CYP2E1
SCHEMBL2491046 0.77 MTOR (0.45) ALDH1A1CYP3A4CYP1A2KDM4EMAPT
SCHEMBL28050257 0.74 MTOR (0.42) ALDH1A1CYP3A4CYP1A2KDM4EMAPT
SCHEMBL120088 0.71 CYP2A6 (1.00) CYP2A6ALDH1A1CYP3A4CYP1A2CYP2E1
SCHEMBL30473120 0.71 CYP2A6 (1.00) CYP2A6ALDH1A1CYP3A4CYP1A2CYP2E1
SCHEMBL29419014 0.71 CYP2A6 (1.00) CYP2A6ALDH1A1CYP3A4CYP1A2CYP2E1
SCHEMBL403414 0.71 NISCH (0.64) CYP2A6ALDH1A1CYP3A4CYP1A2CYP2E1
SCHEMBL30231261 0.71 NISCH (0.64) CYP2A6ALDH1A1CYP3A4CYP1A2CYP2E1
SCHEMBL30147381 0.69 CYP2A6 (0.52) CYP2A6ALDH1A1CYP3A4CYP1A2CYP2E1
SCHEMBL333251 0.69 CYP2A6 (0.52) CYP2A6ALDH1A1CYP3A4CYP1A2CYP2E1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4692940-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, ELECTRONIC DEVICE, AND ELECTRONIC DEVICE MANUFACTURING METHOD Sumitomo Bakelite Co., Ltd. (JP) 2026-02-11 EP disclosed
CN-112689800-B Photosensitive resin composition for forming permanent film, cured film, electronic device, and method for producing same 住友电木株式会社 2024-07-30 CN disclosed
CN-115698855-A Photosensitive resin composition 住友电木株式会社 2023-02-03 CN disclosed
WO-2020054644-A1 PERMANENT FILM-FORMING PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, ELECTRONIC DEVICE, CURED FILM PRODUCTION METHOD, AND ELECTRONIC DEVICE MANUFACTURING METHOD 住友ベークライト株式会社 2020-03-19 WO disclosed
US-9732085-B2 Pyridinone and pyrimidinone derivatives as factor Xia ONO PHARMACEUTICAL CO., LTD. (JP) 2017-08-15 US disclosed
US-9461252-B2 Organometallic complex, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-10-04 US disclosed
US-20150152112-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 US disclosed
EP-2834227-A1 NOVEL TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corp. (US) 2015-02-11 EP disclosed
US-20140339533-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2014-11-20 US disclosed
US-8795851-B2 Organometallic complex, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-08-05 US disclosed
WO-2013152206-A1 NOVEL TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2013-10-10 WO disclosed
US-20120025178-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 US disclosed
EP-0127847-A1 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives HOECHST UK LIMITED (GB) 1984-12-12 EP disclosed
EP-0051084-A1 Substituted 1H-1,2,4-triazoles AMERICAN CYANAMID COMPANY (US) 1982-05-12 EP disclosed
US-4329463-A ANTIINFLAMMATORY AGENTS AMERICAN CYANAMID COMPANY (US) 1982-05-11 US disclosed
US-4259504-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-03-31 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 (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-20150152112-A1 COMPOUNDS F11, F12, F10 CYP2A6 252/4885ALDH1A1 1527/4885CYP3A4 101/4885
US-20120025178-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device LAGE3, CRY1, CYBA CYP2A6 1271/4885ALDH1A1 202/4885CYP3A4 420/4885

“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.