SCHEMBL6469655

SCHEMBL6469655

COc1cc2nc(Nc3nc(OC(=O)C(F)(F)F)c4cc(OCCNN5CCOCC5)ccc4n3)nc(C)c2cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
STAT1 P42224 1/20 0.38
RAB9A P51151 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAF1 P04049 4/20 0.37
MCHR1 Q99705 3/20 0.36
AVPR1B P47901 5/20 0.36

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 SCHEMBL6469649 0.88 RAF1 (0.39) HSD17B10KDM4EMEN1NPC1ALDH1A1
SCHEMBL6466266 0.86 RAF1 (0.39) KDM4EMEN1ALDH1A1TP53GAA
SCHEMBL6467467 0.86 TDP2 (0.38) HSD17B10KDM4EMEN1ALDH1A1TP53
SCHEMBL6469154 0.86 KDR (0.40) RAF1AVPR1B
SCHEMBL6470212 0.85 TDP2 (0.37) HSD17B10KDM4EMEN1ALDH1A1TP53
SCHEMBL6465520 0.85 NPSR1 (0.38) HSD17B10KDM4EMEN1ALDH1A1TP53
SCHEMBL6468687 0.85 EHMT2 (0.43) AVPR1B
SCHEMBL6469215 0.85 KDR (0.41) AVPR1B
SCHEMBL6467496 0.85 AVPR1B (0.41) KDM4EALDH1A1RAF1AVPR1B
SCHEMBL6469208 0.85 TDP2 (0.35) HSD17B10KDM4EMEN1ALDH1A1TP53

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 HSD17B10 2865/4885KDM4E 3225/4885MEN1 4218/4885

“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.