SCHEMBL6470339

SCHEMBL6470339

COc1cc2nc(Nc3nc(O)c4cc(OCCNC(C)c5ccncc5)ccc4n3)nc(C)c2cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.40
MAPT P10636 9/20 0.36
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 5/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPSR1 Q6W5P4 1/20 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
EGFR P00533 1/20 0.35
KRAS P01116 1/20 0.35
SOS1 Q07889 1/20 0.35
TDP2 O95551 1/20 0.35
LMNA P02545 2/20 0.35

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
Trifluoroacetic Acid SCHEMBL6468628 0.86 ADORA2B (0.34) BRAFMAPTALDH1A1HSD17B10KDM4E
SCHEMBL6467448 0.84 ADRB2 (0.40) MAPTALDH1A1HSD17B10KDM4ETDP1
SCHEMBL6470577 0.82 NPSR1 (0.43) MAPTALDH1A1HSD17B10KDM4ETDP1
Trifluoroacetic Acid SCHEMBL6469042 0.82 WHR1 (0.37) MAPTALDH1A1HSD17B10KDM4ETDP1
Trifluoroacetic Acid SCHEMBL6469122 0.81 WHR1 (0.37) MAPTALDH1A1HSD17B10KDM4ETDP1
Trifluoroacetic Acid SCHEMBL6470145 0.81 MAPT (0.36) MAPTALDH1A1HSD17B10KDM4ETDP1
SCHEMBL6470340 0.80 BRAF (0.41) BRAFMAPTALDH1A1HSD17B10KDM4E
Trifluoroacetic Acid SCHEMBL6469336 0.80 MAPT (0.37) MAPTALDH1A1HSD17B10KDM4ETDP1
SCHEMBL6469542 0.79 NPSR1 (0.55) MAPTALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL6468013 0.78 KDR (0.41) MAPTALDH1A1KDM4ETDP1NPSR1

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 BRAF 2434/4885MAPT 3552/4885ALDH1A1 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.