SCHEMBL5239193

SCHEMBL5239193

Cc1ccnc2c(N)c[c]cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
PSMD14 O00487 2/20 0.41
COPS5 Q92905 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NOS2 P35228 5/20 0.39
NOS3 P29474 4/20 0.39
LMNA P02545 1/20 0.34
G6PD P11413 1/20 0.34
HTT P42858 2/20 0.33
NR4A2 P43354 1/20 0.33
SLC6A2 P23975 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
TDP2 O95551 1/20 0.33
MAPT P10636 1/20 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
SCHEMBL4640797 0.73 PSMD14 (0.61) CCR1CCR5CCR8PSMD14COPS5
Water SCHEMBL23927104 0.71 CCR1 (0.95) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL11545025 0.69 CCR1 (0.48) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL182930 0.68 CCR1 (1.00) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL29563986 0.68 CCR1 (1.00) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL6163883 0.67 NOS3 (0.41) NOS2NOS3NOS1
SCHEMBL6163081 0.67 PI4KA (0.36) PIM1PIM3ALDH1A1MAPT
SCHEMBL2932255 0.67 NSD2 (0.49) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL25245238 0.67 CCR1 (0.41) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL23777914 0.66 CCR1 (0.95) CCR1CCR5CCR8PSMD14COPS5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771456-A2 HYBRID QA MOLECULES WHEREIN Q IS AN AMINOQUINOLINE AND A IS AN ANTIBIOTIC RESIDUE, THEIR SYNTHESIS AND THEIR USES AS ANTIBACTERIAL AGENT Palumed SA (FR) 2007-04-11 EP claimed
US-20070060558-A1 Hybrid molecules QA where Q is an aminoquinoline and A is an antibiotic residue, the synthesis and uses thereof as antibacterial agents PALUMED S.A. (FR) 2007-03-15 US claimed
WO-2006024741-A2 HYBRID QA MOLECULES WHEREIN Q IS AN AMINOQUINOLINE AND A IS AN ANTIBIOTIC RESIDUE, THEIR SYNTHESIS AND THEIR USES AS ANTIBACTERIAL AGENT PALUMED S.A. (FR) 2006-03-09 WO claimed
EP-1771456-A2 HYBRID QA MOLECULES WHEREIN Q IS AN AMINOQUINOLINE AND A IS AN ANTIBIOTIC RESIDUE, THEIR SYNTHESIS AND THEIR USES AS ANTIBACTERIAL AGENT Palumed SA (FR) 2007-04-11 EP disclosed
US-20070060558-A1 Hybrid molecules QA where Q is an aminoquinoline and A is an antibiotic residue, the synthesis and uses thereof as antibacterial agents PALUMED S.A. (FR) 2007-03-15 US disclosed
WO-2006024741-A2 HYBRID QA MOLECULES WHEREIN Q IS AN AMINOQUINOLINE AND A IS AN ANTIBIOTIC RESIDUE, THEIR SYNTHESIS AND THEIR USES AS ANTIBACTERIAL AGENT PALUMED S.A. (FR) 2006-03-09 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-20070060558-A1 Hybrid molecules QA where Q is an aminoquinoline and A is an antibiotic residue, the synthesis and uses thereof as antibacterial agents QARS1, QPCT, QTRT2 CCR1 4884/4885CCR5 4811/4885CCR8 4882/4885

“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.