SCHEMBL981372

SCHEMBL981372

O=c1c(-c2ccc(F)cc2)nc2ccccc2n1CC(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 4/20 0.58
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
CYP3A4 P08684 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
RECQL P46063 1/20 0.45
CASP7 P55210 1/20 0.45

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
SCHEMBL981829 0.91 CFTR (0.66) CFTRALDH1A1KDM4EGAAHPGD
SCHEMBL981611 0.88 CFTR (0.60) CFTRADORA3ADORA2AADORA1CYP3A4
SCHEMBL982445 0.88 CFTR (0.74) CFTRADORA2AALDH1A1KDM4EGAA
SCHEMBL16063405 0.87 CFTR (0.59) CFTRALDH1A1KDM4EGAAHPGD
SCHEMBL981286 0.84 CFTR (0.60) CFTRCYP3A4LMNACYP1A2ALDH1A1
SCHEMBL13694756 0.83 CFTR (0.56) CFTRADORA3ADORA2AADORA1CYP3A4
SCHEMBL980909 0.83 CFTR (0.56) CFTRADORA3ADORA2AADORA1CYP3A4
SCHEMBL981905 0.80 KDM4E (0.55) CFTRLMNACYP1A2ALDH1A1KDM4E
SCHEMBL31448360 0.76 ALDH1A1 (0.77) ADORA3ADORA2AADORA1CYP3A4LMNA
SCHEMBL29847411 0.75 CFTR (0.78) CFTRLMNAALDH1A1KDM4EGAA

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 16 patents. 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
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-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
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

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 626/4885ADORA3 372/4885ADORA2A 544/4885
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 626/4885ADORA3 372/4885ADORA2A 544/4885

“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.