SCHEMBL13249596

SCHEMBL13249596

CC(C)(C)c1cccn2cccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KLK7 P49862 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
ALOX15 P16050 1/20 0.33
MAPT P10636 3/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
TP53 P04637 1/20 0.32
ATM Q13315 1/20 0.31
KIF11 P52732 1/20 0.31

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
SCHEMBL13249598 0.86 ALDH1A1 (0.37) CA2ALDH1A1KDM4EGAAHPGD
SCHEMBL22793065 0.79 CA2 (0.35) CA2ALDH1A1KDM4EGAAHPGD
SCHEMBL20689814 0.76 QPCT (0.46) CA2ALDH1A1GAATSHRTDP1
SCHEMBL13249599 0.76 QPCT (0.43) ALDH1A1KDM4EGAAHPGDKLK7
SCHEMBL24979192 0.70 CA2 (0.35) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL13431385 0.70 MAP4K4 (0.37) CA2ALDH1A1GAATSHRTDP1
SCHEMBL6370683 0.70 NUDT1 (0.42) CA2ALDH1A1KDM4EGAATSHR
SCHEMBL14963064 0.70 ALDH1A1 (0.34) CA2ALDH1A1TSHRTDP1MAPT
SCHEMBL4569219 0.70 MAP4K4 (0.41) CA2ALDH1A1TSHRTDP1
SCHEMBL22792911 0.69 ALDH1A1 (0.39) CA2ALDH1A1KDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 US disclosed
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220401430-A1 ALLOSTERIC MODULATORS OF THE MU OPIOID RECEPTOR Chiromics, LLC 2022-12-22 US disclosed
US-11071731-B2 Allosteric modulators of the mu opioid receptor Chiromics, LLC (US) 2021-07-27 US disclosed
US-10894038-B2 Indolizine derivatives, composition and methods of use SHANGHAI FOCHON PHARMACEUTICAL CO. LTD. (CN) 2021-01-19 US disclosed
US-20200276177-A1 Allosteric Modulators of the Mu Opioid Receptor Chiromics, LLC (US) 2020-09-03 US disclosed
US-20200113876-A1 INDOLIZINE DERIVATIVES, COMPOSITION AND METHODS OF USE FOCHON PHARMACEUTICALS, LTD. (CN) 2020-04-16 US disclosed
US-10603313-B2 Allosteric modulators of the mu opioid receptor Chiromics, LLC (US) 2020-03-31 US disclosed
US-20190030020-A1 Allosteric Modulators of the Mu Opioid Receptor Chiromics, LLC (US) 2019-01-31 US disclosed
US-9844539-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-12-19 US disclosed
US-20170319559-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-11-09 US disclosed
US-20170056382-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-03-02 US disclosed
US-9469640-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-10-18 US disclosed
US-20160168146-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2016-06-16 US disclosed
US-20140303187-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-10-09 US disclosed
US-20140038948-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-06 US disclosed
US-20130237531-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-09-12 US disclosed
US-20100190777-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2010-07-29 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 (17 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-10603313-B2 Allosteric modulators of the mu opioid receptor OPRM1, OPRK1, OPRD1 CA2 4608/4885ALDH1A1 2533/4885KDM4E 630/4885
US-20160168146-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CA2 3958/4885ALDH1A1 4348/4885KDM4E 2029/4885
US-20220401430-A1 ALLOSTERIC MODULATORS OF THE MU OPIOID RECEPTOR OPRM1, OPRK1, OPRD1 CA2 4608/4885ALDH1A1 2533/4885KDM4E 630/4885
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP11B2, WEE2, CYP11B1 CA2 94/4885ALDH1A1 2001/4885KDM4E 4592/4885
US-20130237531-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CA2 3958/4885ALDH1A1 4348/4885KDM4E 2029/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CA2 4029/4885ALDH1A1 312/4885KDM4E 2437/4885
US-20200113876-A1 INDOLIZINE DERIVATIVES, COMPOSITION AND METHODS OF USE INMT, SLC14A1, AADAT CA2 2893/4885ALDH1A1 745/4885KDM4E 3374/4885
US-20200276177-A1 Allosteric Modulators of the Mu Opioid Receptor OPRM1, OPRK1, OPRD1 CA2 4608/4885ALDH1A1 2533/4885KDM4E 630/4885
US-10894038-B2 Indolizine derivatives, composition and methods of use INMT, SLC14A1, AADAT CA2 2893/4885ALDH1A1 745/4885KDM4E 3374/4885
US-20140303187-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CA2 3958/4885ALDH1A1 4348/4885KDM4E 2029/4885
US-20100190777-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K11, MAP3K10 CA2 3771/4885ALDH1A1 3137/4885KDM4E 2057/4885
US-20190030020-A1 Allosteric Modulators of the Mu Opioid Receptor OPRM1, OPRK1, OPRD1 CA2 3645/4885ALDH1A1 3558/4885KDM4E 1146/4885
US-20170319559-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CA2 3958/4885ALDH1A1 4348/4885KDM4E 2029/4885
US-20140038948-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CA2 3958/4885ALDH1A1 4348/4885KDM4E 2029/4885
US-20170056382-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CA2 3958/4885ALDH1A1 4348/4885KDM4E 2029/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CA2 4029/4885ALDH1A1 312/4885KDM4E 2437/4885
US-11071731-B2 Allosteric modulators of the mu opioid receptor OPRM1, OPRK1, OPRD1 CA2 4608/4885ALDH1A1 2533/4885KDM4E 630/4885

“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.