SCHEMBL30856867

SCHEMBL30856867

CCOC(=O)c1c(-c2ccncc2[N+](=O)[O-])nc2cnccn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
ALOX15 P16050 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
MAPK1 P28482 2/20 0.41
BRAF P15056 1/20 0.39
BRD4 O60885 1/20 0.39
MAPT P10636 3/20 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
SCHEMBL30765413 0.80 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19SMN1; SMN2NPC1
SCHEMBL20579817 0.78 CYP1A2 (0.74) CYP1A2CYP2C9CYP2C19SMN1; SMN2NPC1
SCHEMBL14739524 0.77 GAA (0.52) CYP1A2CYP2C9CYP2C19SMN1; SMN2NPC1
SCHEMBL1965048 0.76 MAPK1 (0.64) CYP1A2CYP2C9CYP2C19SMN1; SMN2NPC1
SCHEMBL15760438 0.74 MAPK1 (0.48) CYP1A2CYP2C9CYP2C19SMN1; SMN2NPC1
SCHEMBL31268539 0.72 ELANE (0.38) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL28433847 0.72 KMT2A (0.46) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL4070785 0.70 ALDH1A1 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL30744722 0.69 MMP13 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL30761773 0.69 MMP13 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E

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-11958853-B1 6-substituted aminopyrazino[2′,1′:2,3]imidazo[4,5-c][1,7]naphthyridine compounds as CK2 inhibitors King Faisal University (SA) 2024-04-16 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-11958853-B1 6-substituted aminopyrazino[2′,1′:2,3]imidazo[4,5-c][1,7]naphthyridine compounds as CK2 inhibitors CSNK2A3, CSNK2A1, CSNK2A2 CYP1A2 3282/4885CYP2C9 2552/4885CYP2C19 2779/4885

“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.