SCHEMBL6465587

SCHEMBL6465587

CCOc1cccc2c(C)nc(Nc3nc(O)c4ccccc4n3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.49
KDM1A O60341 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
AURKA O14965 1/20 0.44
KMT2A Q03164 6/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.41
POLB P06746 3/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6465726 0.87 KMT2A (0.50) KDM1ASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL6467464 0.84 ADORA2B (0.43) ADORA2BAURKAKMT2AMEN1MAPT
Trifluoroacetic Acid SCHEMBL6468665 0.79 KMT2A (0.40) ADORA2BSMN1; SMN2AURKAKMT2AMEN1
SCHEMBL6472475 0.74 MTNR1A (0.35) ADORA2BSMN1; SMN2AURKAKMT2AMEN1
SCHEMBL6470260 0.74 TP53 (0.42) AURKAKMT2AMEN1MAPTTP53
SCHEMBL6470113 0.74 MAPT (0.51) SMN1; SMN2KMT2AMEN1MAPTNPC1
SCHEMBL4104976 0.74 ADORA2B (0.59) ADORA2BKDM1AKMT2AMEN1MAPT
SCHEMBL6470559 0.74 POLB (0.51) SMN1; SMN2KMT2AALDH1A1PKMPOLB
SCHEMBL22834199 0.73 KMT2A (0.50) SMN1; SMN2AURKAKMT2AMEN1MAPT
SCHEMBL6469244 0.73 TDP2 (0.48) SMN1; SMN2KMT2AMEN1MAPTNPC1

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 ADORA2B 4191/4885KDM1A 3087/4885SMN1; SMN2 4360/4885

“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.