SCHEMBL19001365

SCHEMBL19001365

O=C(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCN(c2cnccn2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 2/20 0.71
ALDH1A1 P00352 4/20 0.64
MAPT P10636 3/20 0.64
HPGD P15428 8/20 0.64
CKS1B P61024 1/20 0.56
SKP1 P63208 1/20 0.56
SKP2 Q13309 1/20 0.56
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NAMPT P43490 2/20 0.52
POLB P06746 3/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
ALOX15 P16050 1/20 0.52
CASP1 P29466 1/20 0.52
HTT P42858 1/20 0.52
CASP7 P55210 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL18995987 0.93 SLC6A7 (0.64) SLC6A7ALDH1A1MAPTHPGDCKS1B
SCHEMBL19001282 0.88 ALDH1A1 (0.69) SLC6A7ALDH1A1MAPTHPGDMAPK1
SCHEMBL19001286 0.84 SLC6A7 (0.51) SLC6A7ALDH1A1MAPTHPGDL3MBTL1
SCHEMBL3575539 0.83 SLC6A7 (1.00) SLC6A7ALDH1A1HPGDCKS1BSKP1
SCHEMBL25010218 0.82 ALDH1A1 (0.76) SLC6A7ALDH1A1MAPTHPGDMAPK1
SCHEMBL18995928 0.82 ALDH1A1 (0.62) SLC6A7ALDH1A1MAPTHPGDMAPK1
SCHEMBL11080932 0.81 SLC6A7 (0.85) SLC6A7ALDH1A1CKS1BSKP1SKP2
SCHEMBL10211687 0.80 NAMPT (0.54) SLC6A7NAMPT
SCHEMBL15378727 0.80 SLC6A7 (0.50) SLC6A7ALDH1A1MAPTHPGDNAMPT
SCHEMBL20467488 0.80 HPGD (0.82) ALDH1A1MAPTHPGDNAMPTKDM4E

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 SLC6A7 1939/4885ALDH1A1 1374/4885MAPT 2452/4885

“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.