SCHEMBL995968

SCHEMBL995968

CCn1ccnc(-c2ccc3cc[nH]c3c2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.41
PIK3CD O00329 2/20 0.41
ABL1 P00519 2/20 0.41
EGFR P00533 2/20 0.41
HCK P08631 2/20 0.41
SRC P12931 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
MTOR P42345 2/20 0.41
PIK3CG P48736 2/20 0.41
EPHB4 P54760 2/20 0.41
PRKDC P78527 2/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
BRAF P15056 1/20 0.41
SYK P43405 3/20 0.40
RIPK2 O43353 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 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
SCHEMBL995969 0.90 TGFBR1 (0.47) KDRPIK3CDABL1EGFRHCK
SCHEMBL15144395 0.75 ALPG (0.44) SRCJAK3ADORA2AADORA1
SCHEMBL997209 0.74 NPSR1 (0.41) SYK
SCHEMBL995454 0.73 NPC1 (0.50) KDRPIK3CDABL1EGFRHCK
SCHEMBL998117 0.73 RAB9A (0.50) ADORA2AADORA1
SCHEMBL996389 0.73 MAPK14 (0.44) TGFBR1
SCHEMBL996478 0.73 BRD4 (0.43) S1PR1ADORA1BRD4
SCHEMBL998539 0.72 ALDH1A1 (0.47) ADORA1BRD4
SCHEMBL11916727 0.71 BRD4 (0.52) KDRPIK3CDABL1EGFRHCK
SCHEMBL996183 0.70 FPR2 (0.41)

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 22 patents — showing the first 20. 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
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-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-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
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
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 KDR 4105/4885PIK3CD 2104/4885ABL1 3123/4885
US-20110046159-A1 Arylpyrazinone derivatives insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes GLP1R, GPR119, IAPP KDR 2935/4885PIK3CD 2869/4885ABL1 3592/4885

“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.