SCHEMBL2609435

SCHEMBL2609435

COc1ccc2nc(C(C)C)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.61
CYP2C19 P33261 3/20 0.61
CYP3A4 P08684 2/20 0.61
PDK1 Q15118 1/20 0.59
ATAD2 Q6PL18 1/20 0.55
RAB9A P51151 5/20 0.54
MAPT P10636 4/20 0.54
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
TSHR P16473 1/20 0.54
APP P05067 4/20 0.52
HTT P42858 2/20 0.51
DYRK1A Q13627 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
GAA P10253 2/20 0.50
GLA P06280 1/20 0.50

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
SCHEMBL5968626 0.87 CYP1A2 (0.62) CYP1A2CYP2C19CYP3A4PDK1ATAD2
SCHEMBL17250001 0.87 PPARA (0.53) CYP1A2CYP2C19CYP3A4PDK1RAB9A
SCHEMBL9036778 0.83 LOXL2 (0.60) CYP1A2CYP2C19CYP3A4PDK1ATAD2
SCHEMBL12591843 0.83 KMT2A (0.64) CYP1A2CYP2C19CYP3A4RAB9AMAPT
SCHEMBL10220120 0.83 ACACB (0.44) CYP1A2CYP2C19CYP3A4PDK1ATAD2
SCHEMBL20306082 0.82 PDK1 (0.45) CYP1A2CYP2C19CYP3A4PDK1ATAD2
SCHEMBL13729470 0.81 NPC1 (0.62) CYP1A2CYP2C19CYP3A4PDK1RAB9A
SCHEMBL23661 0.80 TSHR (0.75) CYP1A2CYP2C19CYP3A4PDK1ATAD2
SCHEMBL5550026 0.80 CYP1A2 (0.57) CYP1A2CYP2C19CYP3A4PDK1ATAD2
SCHEMBL798519 0.77 RAB9A (0.67) RAB9AMAPTNPC1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024033418-A1 TOPICAL TREATMENT OF SKIN CANCER USING OLIGOPEPTIDES BACOBA AG (CH) 2024-02-15 WO disclosed
EP-3471729-B1 ISOXAZOLMETHYLTHIO-, THIENYLMETHYLTHIO- AND THIAZOMETHYLTHIO-DERIVATIVES FOR USE IN THE TREATMENT OF CANCER; VIRAL INFECTIONS; THROMBOTIC EVENTS OR PLATELET AGGREGATION UNIV RUTGERS (US) 2023-02-22 EP disclosed
US-20230022304-A1 WDR5-MYC INHIBITORS VANDERBILT UNIVERSITY 2023-01-26 US disclosed
WO-2022256419-A1 DUAL WNT SIGNALING PATHWAY INHIBITORS AND AMPK ACTIVATORS FOR TREATMENTS OF DISEASE UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-12-08 WO disclosed
US-20210300882-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-09-30 US disclosed
US-20210198263-A1 FUSED BICYCLIC COMPOUNDS USEFUL AS UBIQUITIN-SPECIFIC PEPTIDASE 30 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2021-07-01 US disclosed
US-11028061-B2 Modulators of myocyte lipid accumulation and insulin resistance and methods of use thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2021-06-08 US disclosed
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-12-01 US disclosed
US-20180222874-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF Sanford Bumham Prebys Medical Discovery Imstitute (US) 2018-08-09 US disclosed
US-20180222874-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF Sanford Bumham Prebys Medical Discovery Imstitute (US) 2018-08-09 US disclosed
US-9458179-B2 Quinuclidine, 1-azabicyclo[2.2.1]heptane, 1-azabicyclo [3.2.1]octane, and 1-azabicyclo[3.2.2]nonane compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-20150322089-A1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-12 US disclosed
US-9175285-B2 Potent non-urea inhibitors of soluble epdxide hydrolase THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-11-03 US disclosed
US-20140349368-A1 POTENT NON-UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-11-27 US disclosed
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-8653273-B2 Potent non-urea inhibitors of soluble epoxide hydrolase THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-02-18 US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 US disclosed
US-20120029022-A1 Potent Non-Urea Inhibitors Of Soluble Epoxide Hydrolase THE TRUSTEES OF COLUMBIA UNIVESITY IN THE CITY OF NEW YORK (US) 2012-02-02 US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 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 (11 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-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKB2, NFKBIA CYP1A2 2171/4885CYP2C19 3875/4885CYP3A4 1887/4885
US-20210198263-A1 FUSED BICYCLIC COMPOUNDS USEFUL AS UBIQUITIN-SPECIFIC PEPTIDASE 30 INHIBITORS USP30, UCHL1, ADRM1 CYP1A2 3131/4885CYP2C19 3933/4885CYP3A4 3151/4885
US-20210300882-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF MYC, MYCBP, MLYCD CYP1A2 3187/4885CYP2C19 4314/4885CYP3A4 2575/4885
US-20180222874-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF MYC, MYCBP, MLYCD CYP1A2 3187/4885CYP2C19 4314/4885CYP3A4 2575/4885
US-20140349368-A1 POTENT NON-UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, ECE1 CYP1A2 772/4885CYP2C19 1621/4885CYP3A4 764/4885
US-20150322089-A1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA2, CHRNA1 CYP1A2 441/4885CYP2C19 1868/4885CYP3A4 1885/4885
US-20120029022-A1 Potent Non-Urea Inhibitors Of Soluble Epoxide Hydrolase EPHX1, EPHX2, ECE1 CYP1A2 772/4885CYP2C19 1621/4885CYP3A4 764/4885
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents SERPINC1, F12, RPL35 CYP1A2 190/4885CYP2C19 162/4885CYP3A4 317/4885
US-20230022304-A1 WDR5-MYC INHIBITORS MYC, WDR5, MYCBP CYP1A2 4201/4885CYP2C19 4500/4885CYP3A4 4101/4885
US-11028061-B2 Modulators of myocyte lipid accumulation and insulin resistance and methods of use thereof MYC, MYCBP, MLYCD CYP1A2 3187/4885CYP2C19 4314/4885CYP3A4 2575/4885
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 CYP1A2 155/4885CYP2C19 452/4885CYP3A4 579/4885

“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.