SCHEMBL981613

SCHEMBL981613

CCn1c(=O)c(-c2cccc(Cl)c2)nc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 11/20 0.67
ALDH1A1 P00352 5/20 0.55
CYP1A2 P05177 4/20 0.55
CYP2C9 P11712 3/20 0.55
USP2 O75604 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
KDM4E B2RXH2 3/20 0.53
MAPK1 P28482 3/20 0.53
HSD17B10 Q99714 3/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.51
CASP1 P29466 2/20 0.50
CASP7 P55210 1/20 0.50
CYP3A4 P08684 3/20 0.49
TSHR P16473 2/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL979635 0.85 CFTR (0.64) CFTRALDH1A1CYP1A2CYP2C9USP2
SCHEMBL31448351 0.83 KDM4E (0.71) CFTRALDH1A1CYP1A2CYP2C9USP2
SCHEMBL1963829 0.81 CFTR (0.59) CFTRALDH1A1CYP1A2CYP2C9USP2
SCHEMBL19032857 0.81 CFTR (1.00) CFTRHPGD
SCHEMBL981846 0.80 MAPK1 (0.51) CFTRALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL13694766 0.80 CFTR (0.61) CFTRALDH1A1CYP1A2CYP2D6KDM4E
SCHEMBL16883046 0.79 MAPK1 (0.50) CFTRALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL981951 0.79 CFTR (0.62) CFTRALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL31448338 0.79 CFTR (0.62) CFTRALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL982559 0.78 CFTR (0.59) CFTRALDH1A1KDM4EMAPK1HSD17B10

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
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 claimed
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-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
EP-2247580-A1 QUINOXALINONE DERIVATIVES AS INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2010-11-10 EP 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
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 CFTR 626/4885ALDH1A1 2371/4885CYP1A2 293/4885
US-20110015194-A1 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes GPR119, IAPP, GLP1R CFTR 626/4885ALDH1A1 2371/4885CYP1A2 293/4885

“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.