SCHEMBL19001245

SCHEMBL19001245

CCNCCCc1cn[nH]c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
NAMPT P43490 1/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
MPO P05164 1/20 0.36
NOS2 P35228 1/20 0.36
AKT2 P31751 1/20 0.36
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
KDM1A O60341 1/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL17950152 0.81 MEN1 (0.46) HRH4HRH3NAMPTMEN1KMT2A
SCHEMBL21099036 0.81 HRH4 (0.44) HRH4HRH3NAMPTNOS2AKT2
SCHEMBL4630135 0.79
SCHEMBL4629685 0.78
SCHEMBL22212352 0.78 AKT2 (0.41) NAMPTCYP2C19NOS2AKT2CYP1A2
SCHEMBL20747247 0.78 NAMPT (0.38) NAMPTNOS2AKT2PDCD1LG2CD274
SCHEMBL458851 0.77 TDP1 (0.44) NOS2AKT2
SCHEMBL12697598 0.77
SCHEMBL24581986 0.76 PDCD1LG2 (0.41) HRH4HRH3MPONOS2PDCD1LG2
SCHEMBL24866428 0.76 AKT2 (0.44) NAMPTNOS2AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-22 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-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NAMPT, NQO2, NNMT HRH4 147/4885HRH3 244/4885NAMPT 1/4885

“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.