SCHEMBL982881

SCHEMBL982881

CCCc1nc2ccccc2n(C2CC2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
ALDH1A1 P00352 6/20 0.49
CYP1A2 P05177 4/20 0.49
CYP3A4 P08684 4/20 0.49
CYP2D6 P10635 4/20 0.49
CYP2C9 P11712 4/20 0.49
CYP2C19 P33261 4/20 0.49
HSD17B10 Q99714 3/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 2/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
CLK4 Q9HAZ1 1/20 0.49
OGFRL1 Q5TC84 9/20 0.48
OPRM1 P35372 8/20 0.48
OPRK1 P41145 8/20 0.48
OPRD1 P41143 5/20 0.48

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
SCHEMBL982049 0.89 MAPK1 (0.60) ALDH1A1HSD17B10MAPK1OGFRL1OPRM1
SCHEMBL22623697 0.73 LMNA (0.50) ALDH1A1MAPK1TSHROGFRL1OPRM1
SCHEMBL982335 0.72 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9673866 0.71 CCR5 (0.60) ALDH1A1CYP2D6MAPK1TSHRLMNA
SCHEMBL28506236 0.69 HDAC6 (0.64) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL980794 0.69 ALDH1A1 (0.73) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL983445 0.69 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL982632 0.69 CYP1A2 (0.59) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2744653 0.69 POLB (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4152829 0.68 KMT2A (0.53) CYP2D6OGFRL1OPRM1OPRK1OPRD1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835634-B2 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2014-09-16 US claimed
US-20130123257-A1 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2013-05-16 US claimed
US-8415352-B2 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-04-09 US claimed
US-20110015194-A1 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GESELLSCHAFT (DE) 2011-01-20 US claimed
EP-2247580-B1 QUINOXALINONE DERIVATIVES AS INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2015-07-08 EP disclosed
EP-2247580-B1 QUINOXALINONE DERIVATIVES AS INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2015-07-08 EP disclosed
US-8835634-B2 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2014-09-16 US disclosed
US-8835634-B2 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2014-09-16 US disclosed
US-8835634-B2 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2014-09-16 US disclosed
US-20130123257-A1 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2013-05-16 US disclosed
US-20130123257-A1 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2013-05-16 US disclosed
US-20130123257-A1 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2013-05-16 US disclosed
US-8415352-B2 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-04-09 US disclosed
US-8415352-B2 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-04-09 US disclosed
US-8415352-B2 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-04-09 US disclosed
US-20110015194-A1 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GESELLSCHAFT (DE) 2011-01-20 US disclosed
US-20110015194-A1 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GESELLSCHAFT (DE) 2011-01-20 US disclosed
US-20110015194-A1 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GESELLSCHAFT (DE) 2011-01-20 US disclosed
WO-2009109258-A1 QUINOXALINONE DERIVATIVES AS INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2009-09-11 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-20130123257-A1 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes GPR119, IAPP, GLP1R PDE4A 391/4885PDE4B 656/4885PDE4C 578/4885
US-20110015194-A1 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes GPR119, IAPP, GLP1R PDE4A 391/4885PDE4B 656/4885PDE4C 578/4885

“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.