SCHEMBL1760672

SCHEMBL1760672

c1cncc(-c2ccnc(-c3cccnc3)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.68
LOXL2 Q9Y4K0 1/20 0.62
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP19A1 P11511 2/20 0.56
KMO O15229 2/20 0.56
MEN1 O00255 1/20 0.53
PSIP1 O75475 1/20 0.53
AXL P30530 1/20 0.53
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
PTK2 Q05397 1/20 0.53
MAPKAPK2 P49137 1/20 0.52
FHIT P49789 1/20 0.52
DYRK1A Q13627 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
CYP17A1 P05093 1/20 0.52

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
SCHEMBL12957243 0.94 CYP2A6 (0.66) CYP2A6LOXL2ALDH1A1CYP1A2CYP3A4
SCHEMBL18905218 0.92 CYP19A1 (0.68) CYP2A6LOXL2ALDH1A1CYP1A2CYP3A4
SCHEMBL19238778 0.90 CYP2A6 (0.58) CYP2A6LOXL2ALDH1A1CYP1A2CYP3A4
SCHEMBL12339155 0.86 CYP2A6 (0.71) CYP2A6LOXL2ALDH1A1CYP3A4CYP19A1
SCHEMBL18745802 0.86 CYP2A6 (0.57) CYP2A6LOXL2CYP19A1KMOMEN1
SCHEMBL18745700 0.86 MEN1 (0.57) CYP2A6LOXL2ALDH1A1CYP1A2CYP3A4
SCHEMBL12339146 0.86 CYP2A6 (0.66) CYP2A6LOXL2ALDH1A1CYP1A2CYP3A4
SCHEMBL9973748 0.85 CYP2A6 (0.55) CYP2A6LOXL2CYP19A1KMOHSP90AA1
SCHEMBL22249865 0.85 CYP19A1 (0.58) CYP2A6LOXL2CYP19A1KMOHSP90AA1
SCHEMBL19238777 0.84 PIK3CA (0.56) CYP2A6LOXL2ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107688063-A Method that is a kind of while determining 12 kinds of alkaloids in bolete 国家烟草质量监督检验中心 2018-02-13 CN claimed
CN-107525865-A Nicotine degradation produces the detection method of secondary alkaloid under a kind of simulation actual environment 国家烟草质量监督检验中心 2017-12-29 CN claimed
CN-107515263-A Method that is a kind of while determining 11 kinds of secondary alkaloids in tobacco juice for electronic smoke 国家烟草质量监督检验中心 2017-12-26 CN claimed
CN-107490642-A Method that is a kind of while determining 12 kinds of alkaloids in cigarette smoke granule phase substance 国家烟草质量监督检验中心 2017-12-19 CN claimed
CN-107462649-A Method that is a kind of while determining 12 kinds of alkaloids in electronics smoke sol 国家烟草质量监督检验中心 2017-12-12 CN claimed
CN-107290458-A It is a kind of while determining the method for 12 kinds of alkaloids in tobacco and tobacco product 国家烟草质量监督检验中心 2017-10-24 CN claimed
US-7087106-B2 Materials and methods for inhibiting fouling of surfaces exposed to aquatic environments UNIVERSITY OF FLORIDA (US) 2006-08-08 US claimed
WO-2005023942-A2 MATERIALS AND METHODS FOR INHIBITING FOULING OF SURFACES EXPOSED TO AQUATIC ENVIRONMENTS UNIVERSITY OF FLORIDA (US) 2005-03-17 WO claimed
US-20040235901-A1 Materials and methods for inhibiting fouling of surfaces exposed to aquatic environments DUKE UNIVERSITY 2004-11-25 US claimed
JP-63101303-A None JP disclosed
JP-63101304-A None JP disclosed
US-12540073-B2 Heterogeneous hydrogen-catalyst solid fuel reaction mixture and reactor BRILLIANT LIGHT POWER, INC. (US) 2026-02-03 US disclosed
WO-2025022331-A1 RECOVERING ALKALOIDS FROM TOBACCO DRYING PROCESSES PHILIP MORRIS PRODUCTS S.A. (CH) 2025-01-30 WO disclosed
US-20230045778-A9 HETEROGENEOUS HYDROGEN-CATALYST SOLID FUEL REACTION MIXTURE AND REACTOR BRILLIANT LIGHT POWER, INC. (US) 2023-02-09 US disclosed
US-5298220-A Forming a coating of a solution containing anioic and cationic dyes and water insoluble organonitrogen compound, drying SHIN-ETSU CHEMICAL CO., LTD. (JP) 1994-03-29 US disclosed
US-5196164-A During addition polymerization, wall coating of anionic dye and cationic dye and organonitrogen compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 1993-03-23 US disclosed
CN-1040206-A Prevent to form the method for polymer scale formation SHINETSU CHEMICAL CO (JP) 1990-03-07 CN disclosed
EP-0355575-A2 Method of preventing polymer scale formation Shin-Etsu Chemical Co., Ltd. (JP) 1990-02-28 EP disclosed
JP-S63101304-A TERMITE-PREVENTIVE COMPOSITION SAITO TOKUO 1988-05-06 JP disclosed
JP-S63101303-A COMPOSITION FOR PROTECTING FRUIT TREE SAITO TOKUO 1988-05-06 JP 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 (1 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-12540073-B2 Heterogeneous hydrogen-catalyst solid fuel reaction mixture and reactor SCO2, SOD1, HAO2 CYP2A6 4027/4885LOXL2 2090/4885ALDH1A1 3874/4885

“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.