SCHEMBL13249598

SCHEMBL13249598

CC(C)(C)c1ccn2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 4/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
KLK7 P49862 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 1/20 0.30
GPR3 P46089 1/20 0.30

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
SCHEMBL13249596 0.86 CA2 (0.41) ALDH1A1TSHRTDP1MAPTALOX15
SCHEMBL22793065 0.79 CA2 (0.35) ALDH1A1TSHRTDP1MAPTKDM4E
SCHEMBL19714925 0.78 ALOX15 (0.36) ALDH1A1TSHRTDP1MAPTALOX15
SCHEMBL22792911 0.74 ALDH1A1 (0.39) ALDH1A1TSHRTDP1MAPTALOX15
SCHEMBL13292374 0.74 ALDH1A1 (0.39) ALDH1A1TSHRTDP1MAPTALOX15
SCHEMBL21669986 0.71 TSHR (0.33) ALDH1A1TSHRALOX15LMNA
SCHEMBL4397520 0.70 KDM4E (0.41) ALDH1A1TSHRMAPTALOX15KDM4E
SCHEMBL277728 0.70 ALOX15 (0.40) ALDH1A1MAPTALOX15KDM4EGAA
SCHEMBL25025339 0.70 HRH3 (0.38) ALDH1A1TSHRTDP1MAPTKDM4E
SCHEMBL25054349 0.70 ALDH1A1 (0.32) ALDH1A1TSHRTDP1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230203000-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-06-29 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-20200276177-A1 Allosteric Modulators of the Mu Opioid Receptor Chiromics, LLC (US) 2020-09-03 US disclosed
US-9828363-B2 Fused pyrimidines as inhibitors of P97 complex CLEAVE BIOSCIENCES, INC. (US) 2017-11-28 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-20160332990-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES, INC. (US) 2016-11-17 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 344/4885TSHR 1194/4885TDP1 1309/4885
US-20160332990-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX WDR77, POP1, PSMG3 ALDH1A1 3652/4885TSHR 4639/4885TDP1 1245/4885
US-20160168146-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4348/4885TSHR 3443/4885TDP1 631/4885
US-20220401430-A1 ALLOSTERIC MODULATORS OF THE MU OPIOID RECEPTOR OPRM1, OPRK1, OPRD1 ALDH1A1 2533/4885TSHR 284/4885TDP1 3598/4885
US-20230203000-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, RNASE1 ALDH1A1 4089/4885TSHR 3972/4885TDP1 1538/4885
US-20130237531-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4348/4885TSHR 3443/4885TDP1 631/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 312/4885TSHR 909/4885TDP1 1034/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 ALDH1A1 3140/4885TSHR 1793/4885TDP1 1264/4885
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF ALDH1A1 3732/4885TSHR 3955/4885TDP1 2265/4885
US-20200276177-A1 Allosteric Modulators of the Mu Opioid Receptor OPRM1, OPRK1, OPRD1 ALDH1A1 2533/4885TSHR 284/4885TDP1 3598/4885
US-20140303187-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4348/4885TSHR 3443/4885TDP1 631/4885
US-20100190777-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K11, MAP3K10 ALDH1A1 3137/4885TSHR 890/4885TDP1 1692/4885
US-20170319559-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4348/4885TSHR 3443/4885TDP1 631/4885
US-20140038948-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4348/4885TSHR 3443/4885TDP1 631/4885
US-20170056382-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4348/4885TSHR 3443/4885TDP1 631/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ALDH1A1 312/4885TSHR 909/4885TDP1 1034/4885
US-11071731-B2 Allosteric modulators of the mu opioid receptor OPRM1, OPRK1, OPRD1 ALDH1A1 2533/4885TSHR 284/4885TDP1 3598/4885

“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.