SCHEMBL17263254

SCHEMBL17263254

CCc1ccnc(-n2cn[nH]c2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.37
MAP3K14 Q99558 1/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NOTUM Q6P988 2/20 0.35
PARP1 P09874 2/20 0.34
NAMPT P43490 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
SOD1 P00441 1/20 0.31
GRM1 Q13255 1/20 0.31
PIM1 P11309 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 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
SCHEMBL30947236 0.76 HTT (0.38) MAP3K14HTTALDH1A1HSD17B10TDP1
SCHEMBL21382485 0.76 HTT (0.38) MAP3K14HTTALDH1A1HSD17B10TDP1
SCHEMBL15601923 0.74 HTT (0.56) HTTALDH1A1NOTUMSMN1; SMN2SOD1
SCHEMBL16285368 0.72 HTT (0.46) HTTTDP1NOTUMGPR119GRM1
SCHEMBL12594227 0.70 NOS3 (0.45) NOS3NOS1NOS2ALDH1A1HSD17B10
SCHEMBL13390916 0.68 GAA (0.45) NOS3NOS1NOS2HTTALDH1A1
SCHEMBL21382262 0.67 EGLN2 (0.41) HTTALDH1A1GPR119
SCHEMBL21348667 0.66 NOS3 (0.41) NOS3NOS1NOS2LOXL2MAP3K14
SCHEMBL10274925 0.66 HRH4 (0.51) NOS3NOS1NOS2LOXL2ALDH1A1
SCHEMBL8721375 0.66 RPS6KA5 (0.41) HTTALDH1A1HSD17B10TDP1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 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 (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-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 NOS3 912/4885NOS1 1344/4885NOS2 1158/4885

“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.