SCHEMBL6608428

SCHEMBL6608428

CCOC(=O)c1cnc2c(NC)cc(C)cc2c1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.48
MAPK1 P28482 1/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 6/20 0.42
DPP4 P27487 5/20 0.42
GAA P10253 2/20 0.42
RAD52 P43351 1/20 0.42
UHRF1 Q96T88 1/20 0.42
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
NMT1 P30419 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL11240555 0.84 THRB (0.57) THRBMAPK1TP53MAPTDPP4
SCHEMBL19783662 0.82 THRB (0.45) THRBMAPK1MAPTDPP4GAA
SCHEMBL6201155 0.82 THRB (0.45) THRBMAPK1MAPTGAARAD52
SCHEMBL6732648 0.79 ALDH1A1 (0.50) THRBMAPK1MAPTNPC1ALDH1A1
SCHEMBL6610256 0.78 RAD52 (0.48) MAPK1TP53MAPTGAARAD52
SCHEMBL6732335 0.78 THRB (0.42) THRBMAPK1MAPTDPP4GAA
SCHEMBL6288997 0.75 KMT2A (0.45) MAPK1TP53MAPTDPP4NPC1
SCHEMBL538577 0.75 KMT2A (0.46) MAPTDPP4GAANPC1KDM4E
SCHEMBL6200613 0.74 KMT2A (0.45) MAPTDPP4GAANPC1KDM4E
SCHEMBL730189 0.74 MAPK1 (0.46) THRBMAPK1TP53MAPTDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456208-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2004-09-15 EP disclosed
US-20040106596-A1 Pyridoquinoxaline antivirals PERRAULT WILLIAM R (US) 2004-06-03 US disclosed
US-6686356-B2 HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2004-02-03 US disclosed
US-20030130255-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY 2003-07-10 US disclosed
WO-2003053972-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2003-07-03 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 (2 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-20040106596-A1 Pyridoquinoxaline antivirals IFNAR1, ZC3HAV1, SARS1 THRB 4529/4885MAPK1 291/4885TP53 2600/4885
US-20030130255-A1 PYRIDOQUINOXALINE ANTIVIRALS IFNAR1, ZC3HAV1, SARS1 THRB 4529/4885MAPK1 291/4885TP53 2600/4885

“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.