SCHEMBL6468631

SCHEMBL6468631

COc1cc2nc(Nc3nc(OC(=O)C(F)(F)F)c4cc(OCCN(C)Cc5cccnc5)ccc4n3)nc(C)c2cc1OC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.35
LTA4H P09960 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
ATM Q13315 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
LMNA P02545 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL6468643 0.89 MEN1 (0.38) QPCTMEN1KMT2AKDM4EALDH1A1
SCHEMBL6468701 0.87 CSF1R (0.38) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL6469716 0.86 ALDH1A1 (0.37) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL6467974 0.84 KDR (0.38) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL6467450 0.83 FGFR2 (0.40) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL6467467 0.83 TDP2 (0.38) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL6466266 0.83 RAF1 (0.39) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL6469291 0.82 MCHR1 (0.35) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL6470212 0.82 TDP2 (0.37) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL6465520 0.82 NPSR1 (0.38) MEN1KMT2AKDM4EALDH1A1HSD17B10

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 4 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
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 WO 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 QPCT 103/4885MEN1 4218/4885KMT2A 2156/4885

“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.