SCHEMBL6468047

SCHEMBL6468047

COc1cccc2c(C)nc(Nc3nc(OC(=O)C(F)(F)F)c4cccc(O)c4n3)nc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
CREBBP Q92793 1/20 0.37
ADORA2A P29274 5/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL6470326 0.89 POLB (0.37) POLBGAAALDH1A1SMN1; SMN2PKM
SCHEMBL6468693 0.87 ADORA2A (0.38) POLBGAAALDH1A1SMN1; SMN2PKM
SCHEMBL6467457 0.86 ALDH1A1 (0.36) POLBGAAALDH1A1SMN1; SMN2PKM
SCHEMBL6468055 0.85 POLB (0.40) POLBGAAALDH1A1SMN1; SMN2PKM
SCHEMBL6469269 0.85 POLB (0.37) POLBGAAADORA2AKDM4E
SCHEMBL6466280 0.84 KMT2A (0.37) POLBGAAALDH1A1SMN1; SMN2PKM
SCHEMBL6468616 0.84 TDP2 (0.43) POLBALDH1A1SMN1; SMN2KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL6468039 0.84 PAX8 (0.40) POLBGAAALDH1A1SMN1; SMN2PKM
SCHEMBL6468599 0.83 ADORA2A (0.37) POLBALDH1A1SMN1; SMN2PKMKMT2A
SCHEMBL6470299 0.83 ADORA2A (0.36) POLBGAAALDH1A1SMN1; SMN2PKM

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 POLB 3/4885GAA 232/4885ALDH1A1 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.