SCHEMBL982159

SCHEMBL982159

CCc1c(C)ccc(N)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.47
NOS3 P29474 1/20 0.47
CD44 P16070 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.40
S100B P04271 1/20 0.36
TDP1 Q9NUW8 5/20 0.36
CYP3A4 P08684 5/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
CASP1 P29466 1/20 0.36
SKP2 Q13309 1/20 0.35
ESR1 P03372 2/20 0.32
AR P10275 1/20 0.32
ESR2 Q92731 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.31

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
Hydrochloric Acid SCHEMBL7256311 0.98 NOS2 (0.45) NOS2NOS3CD44POLBKDM4E
SCHEMBL109396 0.83 NOS2 (0.48) NOS2NOS3CD44POLBKDM4E
SCHEMBL7060663 0.82 NOS3 (0.37) NOS2NOS3CD44POLBKDM4E
SCHEMBL6356384 0.81 NOS3 (0.42) NOS2NOS3CD44POLBKDM4E
SCHEMBL25531700 0.79 NOS2 (0.45) NOS2NOS3CD44POLBKDM4E
SCHEMBL28208071 0.79 CD44 (0.39) NOS2NOS3CD44POLBKDM4E
SCHEMBL8443799 0.79 NOS2 (0.45) NOS2NOS3CD44POLBKDM4E
SCHEMBL9497778 0.77 NOS2 (0.44) NOS2NOS3POLBKDM4ES100B
SCHEMBL2423001 0.77 NOS3 (0.44) NOS2NOS3POLBKDM4ETDP1
SCHEMBL426234 0.77 NOS2 (0.44) NOS2NOS3POLBKDM4EALDH1A1

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 4 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 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
EP-0351814-A2 Poly (N-cyclic iminoether), processes for production thereof, thermosetting composition containing it and thermoset resin TEIJIN LIMITED (JP) 1990-01-24 EP 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 (1 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-20110015194-A1 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes GPR119, IAPP, GLP1R NOS2 383/4885NOS3 342/4885CD44 4717/4885

“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.