SCHEMBL6469112

SCHEMBL6469112

COc1cc(OC)c2nc(Nc3nc(O)c4cccc(OC)c4n3)nc(C)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUND P17535 1/20 0.43
FOSB P53539 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 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
SCHEMBL6469244 0.88 TDP2 (0.48) ALDH1A1KDM4ESMN1; SMN2HSD17B10KMT2A
Trifluoroacetic Acid SCHEMBL6470553 0.85 GAA (0.42) ALDH1A1KDM4ESMN1; SMN2HSD17B10KMT2A
SCHEMBL6470559 0.84 POLB (0.51) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
Trifluoroacetic Acid SCHEMBL6470355 0.84 KMT2A (0.35) ALDH1A1KDM4ESMN1; SMN2HSD17B10KMT2A
SCHEMBL9921194 0.83 KDM4E (0.48) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
Trifluoroacetic Acid SCHEMBL6465698 0.83 ADORA2A (0.39) ALDH1A1SMN1; SMN2HSD17B10KMT2AMEN1
SCHEMBL6469519 0.82 TP53 (0.41) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL6465726 0.81 KMT2A (0.50) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL6467861 0.81 POLB (0.42) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
Trifluoroacetic Acid SCHEMBL6467073 0.80 KMT2A (0.39) JUNDFOSBALDH1A1KDM4ESMN1; SMN2

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-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 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-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections POLI, POLK, POLB JUND 2721/4885FOSB 1402/4885ALDH1A1 3154/4885

“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.