SCHEMBL1456957

SCHEMBL1456957

Nc1nc2ccccc2c2c1ncn2Cc1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.49
ADORA2A P29274 3/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
HRH2 P25021 1/20 0.49
ADRA1D P25100 1/20 0.49
HTR2A P28223 1/20 0.49
ADRA1A P35348 1/20 0.49
NUDT1 P36639 1/20 0.49
HTR2B P41595 1/20 0.49
PDE4D Q08499 1/20 0.49
KCNH2 Q12809 1/20 0.49
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
DRD2 P14416 4/20 0.39
DRD4 P21917 4/20 0.39
DRD3 P35462 4/20 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
SCHEMBL1457397 0.88 HTT (0.45) LMNAHTTNPC1RAB9ACYP11B1
SCHEMBL1457384 0.87 TOP1 (0.41) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL1456943 0.82 HTT (0.42) LMNAHTTNPC1RAB9ACYP11B1
SCHEMBL1457005 0.82 TLR7 (0.57) TLR7NPC1RAB9A
SCHEMBL1457040 0.81 TLR7 (0.47) TLR7
SCHEMBL1456988 0.80 TLR7 (0.59) TLR7
SCHEMBL1457313 0.80 TLR7 (0.48) TLR7
Hydrochloric Acid SCHEMBL1457521 0.79 TLR7 (0.48) TLR7
SCHEMBL1456989 0.79 TLR7 (0.60) TLR7
SCHEMBL1456610 0.77 TLR7 (0.57) TLR7NUDT1

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
US-7915281-B2 Isoxazole, dihydroisoxazole, and oxadiazole substituted imidazo ring compounds and method 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-29 US disclosed
US-7915281-B2 Isoxazole, dihydroisoxazole, and oxadiazole substituted imidazo ring compounds and method 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-29 US disclosed
US-7915281-B2 Isoxazole, dihydroisoxazole, and oxadiazole substituted imidazo ring compounds and method 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-29 US disclosed
US-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-13 US disclosed
US-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-13 US disclosed
US-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-13 US 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-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method IFNG, IL4, IL2 TLR7 137/4885ADORA2A 2197/4885LMNA 3065/4885

“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.