SCHEMBL6469079

SCHEMBL6469079

COc1cc(OC)c2nc(Nc3nc(OC(=O)C(F)(F)F)c4cc(OCCN5CCCC5CO)ccc4n3)nc(C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
KCNH2 Q12809 2/20 0.36
AURKA O14965 6/20 0.35
RPS6KB1 P23443 1/20 0.35
AURKB Q96GD4 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
RET P07949 1/20 0.35
KIF5B P33176 1/20 0.35
CSF1R P07333 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
PDGFRA P16234 1/20 0.33
TLR7 Q9NYK1 2/20 0.33
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
FGFR4 P22455 2/20 0.33
FGFR3 P22607 2/20 0.33
KDR P35968 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
SCHEMBL6470950 0.91 RET (0.40) MCHR1CYP3A4CYP2D6KCNH2AURKA
Trifluoroacetic Acid SCHEMBL6469071 0.90 F2 (0.37) MCHR1CYP3A4CYP2D6KCNH2AURKA
SCHEMBL6469177 0.90 RET (0.38) MCHR1CYP3A4CYP2D6KCNH2AURKA
SCHEMBL6470906 0.88 HRH3 (0.39) KCNH2HRH3KDR
SCHEMBL6469230 0.85 PDK2 (0.37) MCHR1KCNH2AURKARPS6KB1AURKB
SCHEMBL6467386 0.85 TDP2 (0.36) AURKAKDM4EHSD17B10
SCHEMBL6470081 0.85 NPSR1 (0.37) AURKAKDM4EHSD17B10
SCHEMBL6469947 0.85 AVPR1B (0.41) AURKBKDRHSD17B10
SCHEMBL6469454 0.84 FGFR4 (0.38) HRH3RETKIF5BTLR7FGFR4
SCHEMBL6465724 0.82 MAPT (0.34) AURKAKDM4EHSD17B10

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 3 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
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 MCHR1 4788/4885CYP3A4 1008/4885CYP2D6 1030/4885

“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.