SCHEMBL248283

SCHEMBL248283

COc1ccc(B(O)O)c(C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.50
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE10A Q9Y233 9/20 0.38
ENPP2 Q13822 2/20 0.38
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
BRD9 Q9H8M2 1/20 0.33
BRD7 Q9NPI1 1/20 0.33
PDE2A O00408 2/20 0.33
PDE5A O76074 2/20 0.33
PDE7A Q13946 2/20 0.33
PDE11A Q9HCR9 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL29653296 1.00 NNMT (0.50) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL321488 0.79 POLB (0.52) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL29957302 0.79 MAPT (0.39) NNMTCYP1A2ALDH1A1HTT
SCHEMBL2725012 0.78 POLB (0.38) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL29955515 0.78 NNMT (0.41) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL29952969 0.78 POLB (0.38) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL29956451 0.78 POLB (0.38) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL16294781 0.78 POLB (0.38) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL31189712 0.75 NNMT (0.46) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL29952389 0.75 POLB (0.36) NNMTPOLBTDP1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118359538-A Isoquinoline compound, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-07-19 CN disclosed
EP-4067355-A1 SPIRO-CONDENSED PYRROLIDINE DERIVATIVES AS DEUBIQUITYLATING ENZYME (DUB) INHIBITORS Mission Therapeutics Limited (GB) 2022-10-05 EP disclosed
WO-2022109492-A1 PYRROLOPYRIDAZINE COMPOUNDS AS KINASE INHIBITORS GOSSAMER BIOSERVICES, INC. (US) 2022-05-27 WO disclosed
EP-3423454-B1 SPIRO-CONDENSED PYRROLIDINE DERIVATIVES AS DEUBIQUITYLATING ENZYMES (DUB) INHIBITORS MISSION THERAPEUTICS LTD (GB) 2022-05-25 EP disclosed
CN-107709322-B Tricyclic compounds as anticancer agents 百时美施贵宝公司 2021-05-07 CN disclosed
US-10662170-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2020-05-26 US disclosed
EP-3247705-B1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF AS NAMPT INHIBITORS MILLENNIUM PHARM INC (US) 2019-11-20 EP disclosed
EP-3294739-B1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2019-07-31 EP disclosed
US-10323018-B2 Quinazoline and quinoline compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-06-18 US disclosed
US-10195178-B2 GPR40 agonists in anti-diabetic drug combinations JANSSEN PHARMACEUTICA NV (BE) 2019-02-05 US disclosed
WO-2004099201-A1 COMPOUNDS AS CRF1 RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-11-18 WO disclosed
EP-1368094-A4 4-(2-BUTYLAMINO)-2,7-DIMETHYL-8-(2-METHYL-6-METHOXYPYRID-3-YL) PYRAZOLO- 1,5-A]-1,3,5-TRIAZINE, ITS ENANTIOMERS AND PHARMACEUTICALLY ACCEPTABLE SALTS AS CORTICOTROPIN RELEASING FACTOR RECEPTOR LIGANDS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-03-31 EP disclosed
US-20040014760-A1 4- (2-butylamino) -2, 7-dimethyl-8- (2-methyl-6-methoxypyrid-3-YL) pyrazolo- [1,5-A] -1,3,5-triazine, its enantiomers and pharmaceutically acceptable salts as corticotropin releasing factor receptor ligands GILLIGAN PAUL J (US) 2004-01-22 US disclosed
EP-1368094-A1 4-(2-BUTYLAMINO)-2,7-DIMETHYL-8-(2-METHYL-6-METHOXYPYRID-3-YL) PYRAZOLO- 1,5-A]-1,3,5-TRIAZINE, ITS ENANTIOMERS AND PHARMACEUTICALLY ACCEPTABLE SALTS AS CORTICOTROPIN RELEASING FACTOR RECEPTOR LIGANDS Bristol-Myers Squibb Pharma Company (US) 2003-12-10 EP disclosed
US-20030149059-A1 Tetrahydropurinones and derivatives thereof as corticotropin releasing factor receptor ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-08-07 US disclosed
US-20030125330-A1 4 - (2-butylamino) - 2, 7-dimethyl-8- (2-methyl-6-methoxypyrid-3-yl) pyrazolo- [1,5-A] - 1,3,5-triazine, its enantiomers and pharmaceutically acceptable salts as corticotropin releasing factor receptor ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-07-03 US disclosed
US-20030119831-A1 3,7-dihydro-purine-2,6-dione derivatives as CRF receptor ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-26 US disclosed
WO-2003043637-A1 3,7-DIHYDRO-PURINE-2,6-DIONE DERIVATIVES AS CRF RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-05-30 WO disclosed
WO-2003005969-A2 TETRAHYDROPURINONES AS CORTICOTROPIN RELEASING FACTOR BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-01-23 WO disclosed
WO-2002072202-A1 4-(2-BUTYLAMINO)-2,7-DIMETHYL-8-(2-METHYL-6-METHOXYPYRID-3-YL) PYRAZOLO-[1,5-A]-1,3,5-TRIAZINE, ITS ENANTIOMERS AND PHARMACEUTICALLY ACCEPTABLE SALTS AS CORTICOTROPIN RELEASING FACTOR RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-09-19 WO 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 (7 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-10195178-B2 GPR40 agonists in anti-diabetic drug combinations GPR119, GLP1R, GPR65 NNMT 1998/4885POLB 4845/4885TDP1 4855/4885
US-10323018-B2 Quinazoline and quinoline compounds and uses thereof NAMPT, NQO2, NNMT NNMT 3/4885POLB 3408/4885TDP1 2867/4885
US-20030149059-A1 Tetrahydropurinones and derivatives thereof as corticotropin releasing factor receptor ligands CRH, CRHR1, CRHR2 NNMT 3072/4885POLB 4463/4885TDP1 2595/4885
US-10662170-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes GPR119, GPR52, GPR65 NNMT 2521/4885POLB 4667/4885TDP1 4447/4885
US-20030125330-A1 4 - (2-butylamino) - 2, 7-dimethyl-8- (2-methyl-6-methoxypyrid-3-yl) pyrazolo- [1,5-A] - 1,3,5-triazine, its enantiomers and pharmaceutically acceptable salts as corticotropin releasing factor receptor ligands CRHR2, CRH, CRHR1 NNMT 4773/4885POLB 4548/4885TDP1 3366/4885
US-20030119831-A1 3,7-dihydro-purine-2,6-dione derivatives as CRF receptor ligands GPR119, CRHR1, CRH NNMT 3054/4885POLB 1574/4885TDP1 622/4885
US-20040014760-A1 4- (2-butylamino) -2, 7-dimethyl-8- (2-methyl-6-methoxypyrid-3-YL) pyrazolo- [1,5-A] -1,3,5-triazine, its enantiomers and pharmaceutically acceptable salts as corticotropin releasing factor receptor ligands CRHR2, CRH, CRHR1 NNMT 4773/4885POLB 4548/4885TDP1 3366/4885

“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.