SCHEMBL6469121

SCHEMBL6469121

COc1cc(OC)c2nc(Nc3nc(OC(=O)C(F)(F)F)c4c5c(ccc4n3)OCO5)nc(C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.39
ALDH1A1 P00352 6/20 0.39
NPSR1 Q6W5P4 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 3/20 0.39
RXFP1 Q9HBX9 2/20 0.39
PKM P14618 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
HSD17B10 Q99714 1/20 0.36
PDE5A O76074 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 3/20 0.32
TDP2 O95551 1/20 0.32
POLB P06746 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL6471162 0.88 KDM4E (0.42) KDM4EALDH1A1NPSR1HPGDLMNA
Trifluoroacetic Acid SCHEMBL6469119 0.87 KDM4E (0.39) KDM4EALDH1A1NPSR1HPGDLMNA
SCHEMBL6467078 0.84 KMT2A (0.36) KDM4EALDH1A1NPSR1NPC1RAB9A
Hydrochloric Acid SCHEMBL6469146 0.83 KDM4E (0.40) KDM4EALDH1A1NPSR1HPGDLMNA
SCHEMBL6468652 0.82 MAPT (0.36) KDM4EALDH1A1NPSR1LMNAHSD17B10
SCHEMBL6470462 0.82 NPSR1 (0.34) KDM4EALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL6470071 0.80 KMT2A (0.33) KDM4EALDH1A1NPSR1LMNANPC1
SCHEMBL6468699 0.80 AURKA (0.35) KDM4EALDH1A1NPSR1HPGDLMNA
SCHEMBL6469779 0.78 KMT2A (0.32) KDM4ENPSR1LMNASMN1; SMN2POLB
SCHEMBL6467957 0.78 STAT3 (0.39) KDM4EALDH1A1NPSR1HSD17B10NPC1

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 3 patents. 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 claimed
US-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 US disclosed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 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 (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 KDM4E 3225/4885ALDH1A1 3154/4885NPSR1 4093/4885

“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.