SCHEMBL995969

SCHEMBL995969

CCn1ccnc(-c2ccc3[nH]ccc3c2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.47
GRM2 Q14416 1/20 0.46
METAP2 P50579 1/20 0.45
CYP17A1 P05093 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
BRAF P15056 1/20 0.41
GRM1 Q13255 1/20 0.40
PSMB8 P28062 1/20 0.40
PIK3CD O00329 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
HCK P08631 1/20 0.39
SRC P12931 1/20 0.39
KDR P35968 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
EPHB4 P54760 1/20 0.39

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
SCHEMBL995968 0.90 KDR (0.41) TGFBR1GRM2BRAFPIK3CDABL1
SCHEMBL995454 0.76 NPC1 (0.50) TGFBR1METAP2GRM1PIK3CDABL1
SCHEMBL15144395 0.75 ALPG (0.44) CYP17A1CYP11B1CYP11B2SRCNPC1
SCHEMBL997209 0.74 NPSR1 (0.41) NPC1SYKMAPK11MAPK14
SCHEMBL996389 0.73 MAPK14 (0.44) TGFBR1MAPK11MAPK14
SCHEMBL996478 0.73 BRD4 (0.43) NPC1S1PR1
SCHEMBL998539 0.72 ALDH1A1 (0.47) NPC1
SCHEMBL998117 0.71 RAB9A (0.50) NPC1MAPK14
SCHEMBL996183 0.70 FPR2 (0.41)
SCHEMBL998306 0.70 ALDH1A1 (0.44) NPC1

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-9233937-B2 Method of stimulating insulin secretion and/or modulating INS-1 kinase with substituted pyrazinones and/or substituted tetrahydroquinoxalinones MERCK PATENT GMBH (FR) 2016-01-12 US claimed
US-20140329837-A1 ARYLPYRAZINONES SUCH AS BUT NOT LIMITED TO 3-(4-CHLOROPHENYL-1-ETHYLPYRAZIN-2-(1H0)-ONE MERCK PATENT GMBH (FR) 2014-11-06 US claimed
US-8815859-B2 Substituted pyrazin-2-ones and substituted 5,6,7,8-tetrahydroquinoxalin-2-ones and methods of use thereof MERCK PATENT GMBH (DE) 2014-08-26 US claimed
EP-2268624-B1 ARYLPYRAZINONE DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2013-07-31 EP claimed
US-20110046159-A1 Arylpyrazinone derivatives insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GESELLSCHAFT (DE) 2011-02-24 US claimed
EP-2268624-A1 ARYLPYRAZINONE DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2011-01-05 EP claimed
WO-2009132739-A1 ARYLPYRAZINONE DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2009-11-05 WO claimed
US-9233937-B2 Method of stimulating insulin secretion and/or modulating INS-1 kinase with substituted pyrazinones and/or substituted tetrahydroquinoxalinones MERCK PATENT GMBH (FR) 2016-01-12 US disclosed
US-9233937-B2 Method of stimulating insulin secretion and/or modulating INS-1 kinase with substituted pyrazinones and/or substituted tetrahydroquinoxalinones MERCK PATENT GMBH (FR) 2016-01-12 US disclosed
US-20140329837-A1 ARYLPYRAZINONES SUCH AS BUT NOT LIMITED TO 3-(4-CHLOROPHENYL-1-ETHYLPYRAZIN-2-(1H0)-ONE MERCK PATENT GMBH (FR) 2014-11-06 US disclosed
US-20140329837-A1 ARYLPYRAZINONES SUCH AS BUT NOT LIMITED TO 3-(4-CHLOROPHENYL-1-ETHYLPYRAZIN-2-(1H0)-ONE MERCK PATENT GMBH (FR) 2014-11-06 US disclosed
US-8815859-B2 Substituted pyrazin-2-ones and substituted 5,6,7,8-tetrahydroquinoxalin-2-ones and methods of use thereof MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-8815859-B2 Substituted pyrazin-2-ones and substituted 5,6,7,8-tetrahydroquinoxalin-2-ones and methods of use thereof MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
EP-2268624-B1 ARYLPYRAZINONE DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2013-07-31 EP disclosed
EP-2268624-B1 ARYLPYRAZINONE DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2013-07-31 EP disclosed
US-20110046159-A1 Arylpyrazinone derivatives insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GESELLSCHAFT (DE) 2011-02-24 US disclosed
US-20110046159-A1 Arylpyrazinone derivatives insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GESELLSCHAFT (DE) 2011-02-24 US disclosed
EP-2268624-A1 ARYLPYRAZINONE DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2011-01-05 EP disclosed
WO-2009132739-A1 ARYLPYRAZINONE DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2009-11-05 WO disclosed
WO-2009132739-A1 ARYLPYRAZINONE DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2009-11-05 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 (2 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-20140329837-A1 ARYLPYRAZINONES SUCH AS BUT NOT LIMITED TO 3-(4-CHLOROPHENYL-1-ETHYLPYRAZIN-2-(1H0)-ONE IAPP, GPR119, GLP1R TGFBR1 1417/4885GRM2 3858/4885METAP2 1286/4885
US-20110046159-A1 Arylpyrazinone derivatives insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes GLP1R, GPR119, IAPP TGFBR1 517/4885GRM2 3626/4885METAP2 2094/4885

“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.