SCHEMBL6468599

SCHEMBL6468599

COc1cc2c(C)nc(Nc3nc(OC(=O)C(F)(F)F)c4cccc(OC)c4n3)nc2cc1N

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.37
TP53 P04637 4/20 0.37
MAPT P10636 4/20 0.37
KMT2A Q03164 4/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CREBBP Q92793 1/20 0.36
RAD52 P43351 2/20 0.36
MEN1 O00255 2/20 0.36
ABCG2 Q9UNQ0 1/20 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
SCHEMBL6466280 0.90 KMT2A (0.37) ADORA2ATP53MAPTKMT2APOLB
SCHEMBL6469862 0.88 KMT2A (0.35) ADORA2AMAPTKMT2APOLBALDH1A1
SCHEMBL6468647 0.86 ABCG2 (0.38) MAPTKMT2APOLBALDH1A1PKM
SCHEMBL6468661 0.86 BRAF (0.39) ADORA2A
SCHEMBL6468667 0.86 TP53 (0.40) TP53MAPTKMT2APOLBMEN1
SCHEMBL6467193 0.86 ABCG2 (0.40) TP53MAPTKMT2APOLBSMN1; SMN2
Trifluoroacetic Acid SCHEMBL6468597 0.85 KMT2A (0.39) ADORA2ATP53MAPTKMT2APOLB
SCHEMBL6467457 0.85 ALDH1A1 (0.36) ADORA2AMAPTKMT2APOLBALDH1A1
SCHEMBL6468047 0.83 POLB (0.38) ADORA2AKMT2APOLBALDH1A1PKM
SCHEMBL6465739 0.82 ALDH1A1 (0.45) TP53MAPTKMT2APOLBALDH1A1

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 ADORA2A 4250/4885TP53 1339/4885MAPT 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.