SCHEMBL18239335

SCHEMBL18239335

COc1ccc(C(=O)c2ccnn2C)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
NNMT P40261 2/20 0.53
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
GPR183 P32249 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NAMPT P43490 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGDS O60760 1/20 0.38
MAPT P10636 1/20 0.38
OXTR P30559 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL18228019 0.81 NNMT (0.54) HTTNNMTMKNK1MKNK2ALDH1A1
SCHEMBL18228074 0.79 NNMT (0.72) HTTNNMTMKNK1MKNK2ALDH1A1
SCHEMBL15648002 0.77 NNMT (0.53) HTTNNMTMKNK1MKNK2ALDH1A1
SCHEMBL27278396 0.74 HTT (0.67) HTTALDH1A1NAMPTSMN1; SMN2KMT2A
SCHEMBL13606935 0.72 NNMT (0.62) HTTNNMTMKNK1MKNK2ALDH1A1
SCHEMBL6822399 0.72 HTT (0.71) HTTALDH1A1LMNANPSR1NAMPT
SCHEMBL31040268 0.72 HTT (0.71) HTTALDH1A1NAMPTSMN1; SMN2KMT2A
SCHEMBL332638 0.72 HTT (0.71) HTTALDH1A1LMNANPSR1NAMPT
SCHEMBL18228080 0.72 NNMT (0.57) NNMTMKNK1MKNK2ALDH1A1SMN1; SMN2
SCHEMBL7592068 0.72 HTT (0.70) HTTALDH1A1LMNANAMPTSMN1; SMN2

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
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 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 (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-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 HTT 1519/4885NNMT 18/4885MKNK1 559/4885

“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.