SCHEMBL6470356

SCHEMBL6470356

COc1cc(OC)c2nc(Nc3nc(OC(=O)C(F)(F)F)c4cccc(F)c4n3)nc(C)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
ADORA2A P29274 5/20 0.33
KMT2A Q03164 3/20 0.33
ADORA1 P30542 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PIK3CA P42336 1/20 0.32
JUND P17535 1/20 0.32
FOSB P53539 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL6470556 0.92 POLB (0.42) POLBGAAKMT2AALDH1A1SMN1; SMN2
SCHEMBL6468680 0.88 CXCR6 (0.35) POLBGAAADORA2AKMT2AADORA1
SCHEMBL6467193 0.86 ABCG2 (0.40) POLBGAAKMT2ASMN1; SMN2MEN1
SCHEMBL6465702 0.85 ADORA2A (0.39) ADORA2AKMT2AALDH1A1SMN1; SMN2PIK3CA
SCHEMBL6467078 0.85 KMT2A (0.36) POLBKMT2AALDH1A1SMN1; SMN2MTNR1A
Trifluoroacetic Acid SCHEMBL6470355 0.85 KMT2A (0.35) POLBGAAADORA2AKMT2AADORA1
SCHEMBL6469779 0.84 KMT2A (0.32) POLBGAAKMT2ASMN1; SMN2MEN1
SCHEMBL6470462 0.84 NPSR1 (0.34) POLBGAAKMT2AALDH1A1SMN1; SMN2
SCHEMBL6467957 0.84 STAT3 (0.39) POLBGAAKMT2AALDH1A1MEN1
SCHEMBL6468652 0.83 MAPT (0.36) POLBGAAKMT2AALDH1A1SMN1; SMN2

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 232/4885ADORA2A 4250/4885

“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.