SCHEMBL998318

SCHEMBL998318

O=c1c(-c2ccccc2)nccn1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.44
CYP1A2 P05177 9/20 0.43
ALDH1A1 P00352 8/20 0.43
TSHR P16473 5/20 0.43
CYP2C19 P33261 5/20 0.43
HPGD P15428 5/20 0.43
ALOX15 P16050 3/20 0.43
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
CYP2C9 P11712 7/20 0.40
HSD17B10 Q99714 7/20 0.40
CASP1 P29466 6/20 0.40
CASP7 P55210 6/20 0.40
CYP3A4 P08684 4/20 0.40
HIF1A Q16665 4/20 0.40
MAPK1 P28482 3/20 0.40
GLA P06280 3/20 0.40
USP2 O75604 3/20 0.39
IL4I1 Q96RQ9 2/20 0.39
PDE4A P27815 2/20 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
SCHEMBL28226097 0.76 ESR1 (0.41) ALDH1A1LMNAKMT2ASRCAOC3
SCHEMBL996418 0.74 GRM2 (0.48) OPRK1
SCHEMBL4594720 0.73 BRD4 (0.45) OPRK1CYP1A2ALDH1A1TSHRHPGD
SCHEMBL7615987 0.71 OPRK1 (0.44) OPRK1CYP1A2ALDH1A1TSHRCYP2C19
SCHEMBL27761911 0.69 LMNA (0.43) ALDH1A1HPGDALOX15IL4I1LMNA
SCHEMBL998539 0.69 ALDH1A1 (0.47) OPRK1ALDH1A1TSHRPDE3BPDE3A
SCHEMBL998573 0.69 OPRK1 (0.54) OPRK1ALDH1A1HPGDPDE3BPDE3A
SCHEMBL996893 0.67 ESR1 (0.43) OPRK1CYP1A2ALDH1A1HPGDPDE3B
SCHEMBL6039509 0.67 NSD3 (0.43) ALDH1A1ALOX15MEN1KMT2ASRC
SCHEMBL3564565 0.66 ESR1 (0.43) USP2LMNASRC

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
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-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
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 OPRK1 3248/4885CYP1A2 243/4885ALDH1A1 1200/4885
US-20110046159-A1 Arylpyrazinone derivatives insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes GLP1R, GPR119, IAPP OPRK1 3230/4885CYP1A2 125/4885ALDH1A1 1732/4885

“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.