SCHEMBL7919701

SCHEMBL7919701

CC(C)c1ccc2c(c1)CCN2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
NOTUM Q6P988 2/20 0.41
WDR5 P61964 1/20 0.41
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL8738948 0.89 ALDH1A1 (0.55) HTR2AHTR2CPDK1PDK2PDK3
SCHEMBL15445211 0.85 XIAP (0.42) HTR2AHTR2CPDK1PDK2PDK3
SCHEMBL19819225 0.83 ALDH1A1 (0.39) MAPTALDH1A1MEN1GAAHPGD
SCHEMBL25450201 0.83 LMNA (0.38) HTR2AHTR2CPDK1PDK2PDK3
SCHEMBL23316743 0.81 NOTUM (0.34) HTR2AHTR2CPDK1PDK2PDK3
SCHEMBL22579491 0.80 HTR2A (0.42) HTR2AHTR2CPDK1PDK2PDK3
SCHEMBL13340932 0.80 NOTUM (0.47) HTR2AHTR2CPDK1PDK2PDK3
SCHEMBL26700312 0.80 TDP1 (0.38) PDK1PDK2PDK3PDK4MAPT
SCHEMBL12376502 0.79 LMNA (0.38) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL15341900 0.78 WDR5 (0.49) HTR2AHTR2CMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents NOVARTIS AG (CH) 2023-07-18 US disclosed
US-11634425-B2 Pharmaceutical compounds PFIZER INC. (US) 2023-04-25 US disclosed
US-20230110648-A1 ISOINDOLINONE AND INDAZOLE COMPOUNDS FOR THE DEGRADATION OF EGFR C4 THERAPEUTICS, INC. (US) 2023-04-13 US disclosed
EP-3265083-B1 SUBSTITUTED UREA DEPSIPEPTIDE ANALOGS AS ACTIVATORS OF THE CLPP ENDOPEPTIDASE ST JUDE CHILDRENS RES HOSPITAL (US) 2022-07-06 EP disclosed
US-10822377-B2 Substituted urea depsipeptide analogs as activators of the ClpP endopeptidase ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2020-11-03 US disclosed
US-10676510-B2 Substituted urea depsipeptide analogs as activators of the ClpP endopeptidase ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2020-06-09 US disclosed
US-20200031872-A1 Substituted Urea Depsipeptide Analogs as Activators of the CLPP Endopeptidase ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2020-01-30 US disclosed
US-10457707-B2 Substituted urea depsipeptide analogs as activators of the CLPP endopeptidase ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2019-10-29 US disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 US disclosed
US-20190048040-A1 Substituted Urea Depsipeptide Analogs as Activators of the CLPP Endopeptidase ST JUDE CHILDRENS RES HOSPITAL (US) 2019-02-14 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
WO-2017044858-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-03-16 WO disclosed
US-20160200770-A1 SUBSTITUTED UREA DEPSIPEPTIDE ANALOGS AS ACTIVATORS OF THE CLPP ENDOPEPTIDASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-07-14 US disclosed
US-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
WO-2015031871-A1 SUBSTITUTED UREA DEPSIPEPTIDE ANALOGS AS ACTIVATORS OF THE CLPP ENDOPEPTIDASE ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2015-03-05 WO disclosed
US-8436016-B2 Fused heterocyclic M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. 2013-05-07 US disclosed
US-20110201607-A1 FUSED HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck, Sharp & Dohme, Corp. 2011-08-18 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed
WO-2010047990-A1 FUSED HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-04-29 WO disclosed
US-20100087382-A1 Inhibitors of Hepatitis C NS3 Protease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-08 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 (14 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-20160200770-A1 SUBSTITUTED UREA DEPSIPEPTIDE ANALOGS AS ACTIVATORS OF THE CLPP ENDOPEPTIDASE CLPP, DNPEP, PEPD HTR2A 3933/4885HTR2C 4194/4885PDK1 2836/4885
US-20100087382-A1 Inhibitors of Hepatitis C NS3 Protease RNASE1, GTF3C3, CTRL HTR2A 1735/4885HTR2C 1526/4885PDK1 2279/4885
US-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents PAK5, CYP51A1, SF3B5 HTR2A 4741/4885HTR2C 4458/4885PDK1 74/4885
US-10457707-B2 Substituted urea depsipeptide analogs as activators of the CLPP endopeptidase CLPP, DNPEP, PEPD HTR2A 3933/4885HTR2C 4194/4885PDK1 2836/4885
US-10822377-B2 Substituted urea depsipeptide analogs as activators of the ClpP endopeptidase CLPP, DNPEP, PEPD HTR2A 3933/4885HTR2C 4194/4885PDK1 2836/4885
US-20110201607-A1 FUSED HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 HTR2A 105/4885HTR2C 97/4885PDK1 2650/4885
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS PRKCH, PKD2, PRKCQ HTR2A 2713/4885HTR2C 2391/4885PDK1 80/4885
US-20230110648-A1 ISOINDOLINONE AND INDAZOLE COMPOUNDS FOR THE DEGRADATION OF EGFR EGFR, ERBB2, ERBB3 HTR2A 3185/4885HTR2C 1754/4885PDK1 2075/4885
US-20190048040-A1 Substituted Urea Depsipeptide Analogs as Activators of the CLPP Endopeptidase CLPP, DNPEP, PEPD HTR2A 3933/4885HTR2C 4194/4885PDK1 2836/4885
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 HTR2A 4312/4885HTR2C 4336/4885PDK1 723/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 HTR2A 4312/4885HTR2C 4336/4885PDK1 723/4885
US-11634425-B2 Pharmaceutical compounds GABRA6, CHRNA6, CNR1 HTR2A 1333/4885HTR2C 786/4885PDK1 3937/4885
US-10676510-B2 Substituted urea depsipeptide analogs as activators of the ClpP endopeptidase PREP, PRCP, CLPP HTR2A 3446/4885HTR2C 3889/4885PDK1 2203/4885
US-20200031872-A1 Substituted Urea Depsipeptide Analogs as Activators of the CLPP Endopeptidase CLPP, DNPEP, PEPD HTR2A 3933/4885HTR2C 4194/4885PDK1 2836/4885

“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.