SCHEMBL10169241

SCHEMBL10169241

CC(C)c1ccc(C(=O)NC(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.52
PRKAG1 P54619 1/20 0.52
PRKAA2 P54646 1/20 0.52
PRKAA1 Q13131 1/20 0.52
PRKAG3 Q9UGI9 1/20 0.52
PRKAG2 Q9UGJ0 1/20 0.52
PRKAB1 Q9Y478 1/20 0.52
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SCN5A Q14524 1/20 0.48
SCN2A Q99250 1/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2D6 P10635 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL12591847 0.95 PRKAB2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10075552 0.89 PRKAB2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17865779 0.85 LMNA (0.58) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL14846585 0.85 ROCK2 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL692734 0.85 LMNA (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL19177762 0.84 ROCK2 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL19177763 0.84 ROCK2 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL28360425 0.83 LMNA (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1508016 0.81 POLB (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20017287 0.81 MLYCD (0.61) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 US disclosed
US-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-01-26 US disclosed
US-20200347075-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-11-05 US disclosed
US-20170334867-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-11-23 US disclosed
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-11-17 US disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-01-28 US disclosed
US-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-12-25 US disclosed
US-8889673-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-11-18 US disclosed
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-02-06 US disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-10-18 US disclosed
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-09-06 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US disclosed
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods GENENTECH, INC. 2010-02-25 US disclosed
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods GENENTECH, INC. 2010-02-25 US disclosed
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. 2010-02-11 US disclosed
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. 2010-02-11 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 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 (16 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-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 PRKAB2 703/4885PRKAG1 707/4885PRKAA2 828/4885
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK PRKAB2 1152/4885PRKAG1 1146/4885PRKAA2 656/4885
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods JAK2, JAK1, JAK3 PRKAB2 703/4885PRKAG1 707/4885PRKAA2 828/4885
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP PRKAB2 332/4885PRKAG1 207/4885PRKAA2 98/4885
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 PRKAB2 703/4885PRKAG1 707/4885PRKAA2 828/4885
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 PRKAB2 697/4885PRKAG1 601/4885PRKAA2 787/4885
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 PRKAB2 703/4885PRKAG1 707/4885PRKAA2 828/4885
US-20170334867-A1 PROTEASE INHIBITORS CTSK, MMP26, MMP3 PRKAB2 4708/4885PRKAG1 4716/4885PRKAA2 4625/4885
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 PRKAB2 703/4885PRKAG1 707/4885PRKAA2 828/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP PRKAB2 332/4885PRKAG1 207/4885PRKAA2 98/4885
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT PRKAB2 75/4885PRKAG1 93/4885PRKAA2 78/4885
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 PRKAB2 703/4885PRKAG1 707/4885PRKAA2 828/4885
US-20200347075-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA PRKAB2 3075/4885PRKAG1 2448/4885PRKAA2 2210/4885
US-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES ERBB2, EGFR, ERBB3 PRKAB2 2632/4885PRKAG1 2305/4885PRKAA2 1953/4885
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 PRKAB2 703/4885PRKAG1 707/4885PRKAA2 828/4885
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B PRKAB2 2005/4885PRKAG1 2870/4885PRKAA2 2473/4885

“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.