SCHEMBL6470089

SCHEMBL6470089

COc1ccc2nc(Nc3nc(O)c4ccc(C)cc4n3)nc(C)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.58
TDP2 O95551 1/20 0.52
ALDH1A1 P00352 11/20 0.51
KDM4E B2RXH2 7/20 0.51
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
LMNA P02545 3/20 0.48
RAB9A P51151 3/20 0.48
USP2 O75604 2/20 0.48
MAPT P10636 9/20 0.47
ALOX12 P18054 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 2/20 0.47
STAT3 P40763 1/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 1/20 0.47
CLK1 P49759 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL6466332 0.93 ALDH1A1 (0.56) NPSR1TDP2ALDH1A1KDM4EKMT2A
SCHEMBL6468016 0.90 NPSR1 (0.59) NPSR1TDP2ALDH1A1KDM4EKMT2A
SCHEMBL6470301 0.88 NPSR1 (0.56) NPSR1TDP2ALDH1A1KDM4EKMT2A
SCHEMBL6470146 0.88 MAPT (0.61) NPSR1TDP2ALDH1A1KDM4EKMT2A
SCHEMBL6466039 0.86 NPSR1 (0.54) NPSR1TDP2ALDH1A1KDM4EKMT2A
SCHEMBL6469542 0.86 NPSR1 (0.55) NPSR1TDP2ALDH1A1KDM4EKMT2A
SCHEMBL6468672 0.85 NPSR1 (0.54) NPSR1TDP2ALDH1A1KDM4EKMT2A
SCHEMBL16440038 0.85 TDP2 (0.62) NPSR1TDP2ALDH1A1KDM4EKMT2A
SCHEMBL6469350 0.85 NPSR1 (0.52) NPSR1TDP2ALDH1A1KDM4EKMT2A
SCHEMBL6466236 0.83 NPSR1 (0.52) NPSR1TDP2ALDH1A1KDM4EKMT2A

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 NPSR1 4093/4885TDP2 424/4885ALDH1A1 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.