SCHEMBL981898

SCHEMBL981898

CCc1nc2ccccc2n(CC)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 1.00
ALDH1A1 P00352 5/20 1.00
MAPK1 P28482 3/20 1.00
HPGD P15428 3/20 1.00
LMNA P02545 2/20 1.00
HSD17B10 Q99714 2/20 1.00
L3MBTL1 Q9Y468 2/20 0.71
ATM Q13315 1/20 0.71
POLB P06746 4/20 0.69
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
PDE4A P27815 1/20 0.61
PDE4B Q07343 1/20 0.61
PDE4C Q08493 1/20 0.61
PDE4D Q08499 1/20 0.61
HTT P42858 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53

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
SCHEMBL980624 0.87 KDM4E (0.77) KDM4EALDH1A1MAPK1HPGDLMNA
SCHEMBL982499 0.86 MAPK1 (0.75) KDM4EALDH1A1MAPK1HPGDLMNA
SCHEMBL981894 0.84 KDM4E (0.74) KDM4EALDH1A1MAPK1HPGDLMNA
SCHEMBL980794 0.84 ALDH1A1 (0.73) KDM4EALDH1A1MAPK1HPGDLMNA
SCHEMBL13844736 0.84 KDM4E (0.73) KDM4EALDH1A1MAPK1HPGDLMNA
SCHEMBL16872617 0.84 KDM4E (0.73) KDM4EALDH1A1MAPK1HPGDLMNA
SCHEMBL982631 0.83 KDM4E (0.71) KDM4EALDH1A1MAPK1HPGDLMNA
SCHEMBL17817486 0.83 ATM (1.00) KDM4EALDH1A1MAPK1HPGDLMNA
SCHEMBL980644 0.82 KDM4E (0.69) KDM4EALDH1A1MAPK1HPGDLMNA
SCHEMBL979684 0.81 KDM4E (0.69) KDM4EALDH1A1MAPK1HPGDLMNA

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 7 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-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
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-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

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 KDM4E 3341/4885ALDH1A1 2371/4885MAPK1 926/4885
US-20110015194-A1 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes GPR119, IAPP, GLP1R KDM4E 3341/4885ALDH1A1 2371/4885MAPK1 926/4885

“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.