SCHEMBL6467448

SCHEMBL6467448

COc1cc2nc(Nc3nc(O)c4cc(OCCNCCc5ccncc5)ccc4n3)nc(C)c2cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.40
PGK1 P00558 1/20 0.38
ALDH1A1 P00352 6/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
KDM4E B2RXH2 3/20 0.36
GLA P06280 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 6/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
PSMD14 O00487 1/20 0.36
APAF1 O14727 1/20 0.36
MITF O75030 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
PTK2B Q14289 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6470339 0.84 BRAF (0.40) ALDH1A1KDM4ENPSR1MAPTMEN1
SCHEMBL6470340 0.84 BRAF (0.41) ALDH1A1KDM4ENPSR1MAPTMEN1
SCHEMBL6470577 0.83 NPSR1 (0.43) ALDH1A1PDE4APDE4DKDM4ENPSR1
Trifluoroacetic Acid SCHEMBL6467995 0.83 FGFR2 (0.41) ALDH1A1KDM4ENPSR1MAPTMEN1
Trifluoroacetic Acid SCHEMBL6469518 0.81 FGFR2 (0.36) ALDH1A1KDM4ENPSR1MAPTMEN1
SCHEMBL6469542 0.80 NPSR1 (0.55) ALDH1A1KDM4ENPSR1MAPTMEN1
SCHEMBL6468013 0.79 KDR (0.41) ALDH1A1KDM4ENPSR1MAPTMEN1
Trifluoroacetic Acid SCHEMBL6467465 0.79 MAPT (0.39) ALDH1A1KDM4ENPSR1MAPTMEN1
Trifluoroacetic Acid SCHEMBL6466263 0.79 MAPT (0.40) ALDH1A1KDM4ENPSR1MAPTMEN1
SCHEMBL6470079 0.79 NPSR1 (0.42) ALDH1A1KDM4ENPSR1MAPTMEN1

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 ADRB2 3036/4885PGK1 277/4885ALDH1A1 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.