SCHEMBL3049083

SCHEMBL3049083

c1ccc(Cc2ncc3ccccc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR3A P46098 1/20 0.46
HTR6 P50406 1/20 0.46
CALM1 P0DP23 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.39
GPR3 P46089 1/20 0.39
EGFR P00533 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39

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
SCHEMBL12818543 0.84 GPBAR1 (0.47) MEN1KMT2A
SCHEMBL27374635 0.83 HTR2C (0.49) HTR2CKDM4EGPR3EGFRSTAT3
SCHEMBL30918003 0.83 HTR2C (0.49) HTR2CKDM4EGPR3EGFRSTAT3
SCHEMBL28127943 0.82 APP (0.40) HTR2AHTR2CMAPT
SCHEMBL28128276 0.82 LTA4H (0.50) L3MBTL1MEN1KMT2AKDM4EHTT
SCHEMBL28206527 0.81 KMT2A (0.39) L3MBTL1MEN1KMT2ACHRM4CHRM5
SCHEMBL27372800 0.80 HTR2C (0.49) HTR2AHTR2CSTAT3HTTSMN1; SMN2
SCHEMBL31325782 0.80 L3MBTL1 (0.43) L3MBTL1MEN1KMT2ACHRM4CHRM5
SCHEMBL28127933 0.80 MEN1 (0.49) MEN1KMT2AGAAKDM4EHTT
Hydrochloric Acid SCHEMBL8904172 0.79 EGFR (0.49) MEN1KMT2AGAAEGFRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4925901-A STORAGE STAABILITY, ONIUM ION CATALYST THE DOW CHEMICAL COMPANY (US) 1990-05-15 US claimed
US-11731990-B2 Carbazole-based Bodipys for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-08-22 US disclosed
US-11056656-B2 Organoboron complexes and their use in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-07-06 US disclosed
US-20210079024-A1 CARBAZOLE-BASED BODIPYS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-03-18 US disclosed
US-20200388761-A1 ORGANOBORON COMPLEXES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-12-10 US disclosed
US-9540371-B2 Substituted quinazolin-4(3H)-ones, pyrido[3,4-d]pyrimidin-4(3H)-ones, pyrido[3,2-d]pyrimidin-4(3H)-ones and pyrido[2,3-d]pyrimidin-4(3H)-ones as positive allosteric modulators of muscarinic acetycholine receptor M1 VANDERBILT UNIVERSITY (US) 2017-01-10 US disclosed
US-20160102090-A1 SUBSTITUTED 3-BENZYLQUINOXALIN-4(3H)-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY (US) 2016-04-14 US disclosed
WO-2014179237-A1 SUBSTITUTED 3-BENZYLQUINOXALIN-4(3H)-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY (US) 2014-11-06 WO disclosed
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2010-07-01 US disclosed
US-20100099670-A1 Benzoquinazoline derivatives WIDLER LEO 2010-04-22 US disclosed
CN-1118794-A Latent Catalysts, Cure-inhibited epxoy resin compositions and laminates prepared therefrom DOW CHEMICAL CO (US) 1996-03-20 CN disclosed
CN-1118793-A Latent catalysts, cure-inhibited epxoy resin compositions and laminates prepared therefrom DOW CHEMICAL CO (US) 1996-03-20 CN disclosed
EP-0553887-A2 Catalysts and epoxy resin composition containing the same THE DOW CHEMICAL COMPANY (US) 1993-08-04 EP disclosed
US-5169473-A Complex of an onium, arsenic or amine compound and boric acid; advanced polyepoxides; storage stability THE DOW CHEMICAL COMPANY (US) 1992-12-08 US disclosed
US-5134239-A Quaterinary indolizine compound THE DOW CHEMICAL COMPANY (US) 1992-07-28 US disclosed
CN-1056699-A Latent catalysts and cure-inhibited epoxy resin compositions and laminates made therefrom DOW CHEMICAL CO (US) 1991-12-04 CN disclosed
EP-0458502-A2 Latent catalysts, cure-inhibited epoxy resin compositions and laminates prepared therefrom THE DOW CHEMICAL COMPANY (US) 1991-11-27 EP disclosed
US-4925901-A STORAGE STAABILITY, ONIUM ION CATALYST THE DOW CHEMICAL COMPANY (US) 1990-05-15 US disclosed
EP-0328020-A2 Use of a catalyst in epoxy compositions THE DOW CHEMICAL COMPANY (US) 1989-08-16 EP disclosed
EP-0204529-A2 Anti-cancer quinazoline derivatives BTG INTERNATIONAL LIMITED (GB) 1986-12-10 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 (7 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-11056656-B2 Organoboron complexes and their use in organic electroluminescent devices NDUFC1, MT-ND6, NDUFC2 L3MBTL1 2225/4885MEN1 1284/4885KMT2A 4143/4885
US-20200388761-A1 ORGANOBORON COMPLEXES FOR ORGANIC ELECTROLUMINESCENT DEVICES NDUFC1, KCNC1, MT-ND6 L3MBTL1 2264/4885MEN1 841/4885KMT2A 4071/4885
US-20210079024-A1 CARBAZOLE-BASED BODIPYS FOR ORGANIC ELECTROLUMINESCENT DEVICES CYP1B1, ECI1, FIS1 L3MBTL1 2498/4885MEN1 1888/4885KMT2A 3625/4885
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES CACNA1A, BMP4, TPX2 L3MBTL1 1697/4885MEN1 904/4885KMT2A 2241/4885
US-20100099670-A1 Benzoquinazoline derivatives ABCG2, UGT2B7, CYP3A7 L3MBTL1 3535/4885MEN1 1670/4885KMT2A 1474/4885
US-20160102090-A1 SUBSTITUTED 3-BENZYLQUINOXALIN-4(3H)-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYCHOLINE RECEPTOR M1 CHRM1, CHRM3, CHRM4 L3MBTL1 2067/4885MEN1 1890/4885KMT2A 961/4885
US-11731990-B2 Carbazole-based Bodipys for organic electroluminescent devices CYP1B1, ECI1, FIS1 L3MBTL1 2498/4885MEN1 1888/4885KMT2A 3625/4885

“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.