SCHEMBL6469862

SCHEMBL6469862

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
KDM1A O60341 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
CREBBP Q92793 1/20 0.34
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADORA2A P29274 2/20 0.33

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 0.89 KMT2A (0.37) KMT2AABCG2POLBGAASMN1; SMN2
SCHEMBL6468599 0.88 ADORA2A (0.37) KMT2AABCG2POLBSMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL6469860 0.85 KMT2A (0.38) KMT2AKDM1AABCG2POLBGAA
SCHEMBL6468661 0.85 BRAF (0.39) KDM1AADORA2A
SCHEMBL6468647 0.85 ABCG2 (0.38) KMT2AABCG2POLBGAASMN1; SMN2
SCHEMBL6468667 0.85 TP53 (0.40) KMT2AABCG2POLBGAAMAPT
SCHEMBL6467193 0.84 ABCG2 (0.40) KMT2AABCG2POLBGAASMN1; SMN2
SCHEMBL6467457 0.83 ALDH1A1 (0.36) KMT2APOLBGAASMN1; SMN2ALDH1A1
SCHEMBL6467334 0.83 ABCG2 (0.39) KMT2AABCG2POLBSMN1; SMN2ALDH1A1
SCHEMBL6468047 0.82 POLB (0.38) KMT2APOLBGAASMN1; SMN2ALDH1A1

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 KMT2A 2156/4885KDM1A 3087/4885ABCG2 1526/4885

“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.