SCHEMBL6469963

SCHEMBL6469963

COc1cc2nc(Nc3nc(OC(=O)C(F)(F)F)c4cc(OCCN5CC(C)OC(C)C5)ccc4n3)nc(C)c2cc1OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 11/20 0.39
HTT P42858 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
HSD17B10 Q99714 1/20 0.35
RAF1 P04049 1/20 0.35
POLB P06746 1/20 0.35
BLM P54132 1/20 0.35
GAA P10253 1/20 0.35
PSMD14 O00487 1/20 0.35
APAF1 O14727 1/20 0.35
MITF O75030 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PTK2B Q14289 1/20 0.35

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 SCHEMBL6469959 0.89 MEN1 (0.43) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL6469154 0.89 KDR (0.40) RAF1
SCHEMBL6467496 0.88 AVPR1B (0.41) ALDH1A1KDM4ERAF1
SCHEMBL6469215 0.88 KDR (0.41)
SCHEMBL6467103 0.88 RAF1 (0.38) KDM4EHSD17B10RAF1
SCHEMBL6470132 0.88 PDK1 (0.39) RAF1
SCHEMBL6469285 0.87 HRH3 (0.36) KDM4EHSD17B10RAF1
SCHEMBL6469208 0.87 TDP2 (0.35) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL6468024 0.87 HSD17B10 (0.38) KDM4EHSD17B10RAF1
SCHEMBL6465520 0.86 NPSR1 (0.38) MEN1KMT2AALDH1A1KDM4EHTT

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 MEN1 4218/4885KMT2A 2156/4885ALDH1A1 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.