SCHEMBL19001286

SCHEMBL19001286

O=C(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)C1CCN(c2cnccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.51
HPGD P15428 6/20 0.50
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.47
NAMPT P43490 1/20 0.47
THRB P10828 2/20 0.46
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL18995923 0.93 KDM4E (0.48) SLC6A7HPGDKDM4EALDH1A1TP53
SCHEMBL19001365 0.84 SLC6A7 (0.71) SLC6A7HPGDKDM4EALDH1A1GAA
SCHEMBL18995987 0.78 SLC6A7 (0.64) SLC6A7HPGDKDM4EALDH1A1GAA
SCHEMBL19001282 0.72 ALDH1A1 (0.69) SLC6A7HPGDKDM4EALDH1A1L3MBTL1
SCHEMBL1439167 0.71 KDM4E (0.69) KDM4EALDH1A1GAATP53L3MBTL1
SCHEMBL1458671 0.69 ALDH1A1 (0.57) SLC6A7HPGDKDM4EALDH1A1GAA
SCHEMBL10211172 0.68 HPGD (0.47) HPGDKDM4EALDH1A1GAANPC1
SCHEMBL3575539 0.68 SLC6A7 (1.00) SLC6A7HPGDKDM4EALDH1A1L3MBTL1
SCHEMBL12639920 0.68 KDM4E (0.72) KDM4EALDH1A1GAASMN1; SMN2TP53
SCHEMBL18395354 0.68 KDM4E (0.68) KDM4EALDH1A1GAATP53L3MBTL1

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 1939/4885HPGD 355/4885KDM4E 416/4885

“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.