SCHEMBL6468620

SCHEMBL6468620

COc1ccc2nc(Nc3nc(O)c4cccc(OC(=O)C(F)(F)F)c4n3)nc(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.43
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 6/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 2/20 0.41
MAPT P10636 7/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.41
ALOX12 P18054 1/20 0.40
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL6468055 0.87 POLB (0.40) ALDH1A1KDM4EKMT2APOLBSMN1; SMN2
SCHEMBL6469244 0.87 TDP2 (0.48) TDP2ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL6467174 0.86 ABCG2 (0.40) ALDH1A1KMT2AMEN1POLBMAPT
Trifluoroacetic Acid SCHEMBL6468608 0.86 TDP2 (0.46) TDP2ALDH1A1KDM4EL3MBTL1KMT2A
Trifluoroacetic Acid SCHEMBL6465735 0.85 ALDH1A1 (0.46) TDP2ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL6468616 0.84 TDP2 (0.43) TDP2ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL6468658 0.82 KMT2A (0.36) TDP2ALDH1A1KDM4EL3MBTL1KMT2A
Trifluoroacetic Acid SCHEMBL6470467 0.82 ADORA2A (0.40) TDP2ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL6470483 0.82 ALDH1A1 (0.53) TDP2ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL6465739 0.81 ALDH1A1 (0.45) TDP2ALDH1A1KDM4EL3MBTL1KMT2A

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 TDP2 424/4885ALDH1A1 3154/4885KDM4E 3225/4885

“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.