SCHEMBL6470079

SCHEMBL6470079

COc1cc2nc(Nc3nc(O)c4cc(OCC#N)ccc4n3)nc(C)c2cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
TDP2 O95551 1/20 0.41
MAPT P10636 9/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
PSMD14 O00487 1/20 0.41
APAF1 O14727 1/20 0.41
MITF O75030 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
PTK2B Q14289 1/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 2/20 0.41
RAB9A P51151 2/20 0.41
STAT3 P40763 1/20 0.41
POLB P06746 3/20 0.40
TP53 P04637 3/20 0.40

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
SCHEMBL6469542 0.87 NPSR1 (0.55) NPSR1TDP2MAPTMEN1KMT2A
SCHEMBL6470577 0.87 NPSR1 (0.43) NPSR1TDP2MAPTMEN1KMT2A
SCHEMBL6468013 0.83 KDR (0.41) NPSR1MAPTMEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL6466263 0.81 MAPT (0.40) NPSR1TDP2MAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6467465 0.81 MAPT (0.39) NPSR1TDP2MAPTMEN1KMT2A
SCHEMBL6468016 0.80 NPSR1 (0.59) NPSR1TDP2MAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6470209 0.80 MAPT (0.39) NPSR1TDP2MAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6465517 0.80 KDM4E (0.40) NPSR1TDP2MAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6469711 0.79 RET (0.39) NPSR1TDP2MAPTMEN1KMT2A
SCHEMBL6467448 0.79 ADRB2 (0.40) NPSR1TDP2MAPTMEN1KMT2A

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 424/4885MAPT 3552/4885

“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.