SCHEMBL6465739

SCHEMBL6465739

COc1ccc2nc(Nc3nc(OC(=O)C(F)(F)F)c4cccc(N)c4n3)nc(C)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.45
KDM4E B2RXH2 8/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP2 O95551 1/20 0.43
MAPT P10636 9/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 3/20 0.42
ALOX12 P18054 2/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
RAB9A P51151 3/20 0.41
USP2 O75604 2/20 0.41
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 3/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL6468616 0.90 TDP2 (0.43) ALDH1A1KDM4EL3MBTL1TDP2MAPT
SCHEMBL6469267 0.86 TDP2 (0.46) ALDH1A1KDM4EL3MBTL1TDP2MAPT
SCHEMBL6470555 0.86 KDM4E (0.44) ALDH1A1KDM4EL3MBTL1TDP2MAPT
Trifluoroacetic Acid SCHEMBL6465735 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EL3MBTL1TDP2MAPT
SCHEMBL6467461 0.85 KDM4E (0.44) ALDH1A1KDM4EL3MBTL1TDP2MAPT
SCHEMBL6468599 0.82 ADORA2A (0.37) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6470389 0.82 TDP2 (0.43) ALDH1A1KDM4EL3MBTL1TDP2MAPT
SCHEMBL6467060 0.82 TDP2 (0.43) ALDH1A1KDM4EL3MBTL1TDP2MAPT
SCHEMBL6470579 0.82 TDP2 (0.44) ALDH1A1KDM4EL3MBTL1TDP2MAPT
SCHEMBL6470468 0.82 ADORA2A (0.39) ALDH1A1KDM4EL3MBTL1TDP2MAPT

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 ALDH1A1 3154/4885KDM4E 3225/4885L3MBTL1 1060/4885

“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.