SCHEMBL1457384

SCHEMBL1457384

Nc1nc2cccnc2c2c1ncn2Cc1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.41
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
IKBKB O14920 1/20 0.35
TLR7 Q9NYK1 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HRH2 P25021 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR2A P28223 1/20 0.35
ADORA2A P29274 1/20 0.35
ADRA1A P35348 1/20 0.35
NUDT1 P36639 1/20 0.35
HTR2B P41595 1/20 0.35
PDE4D Q08499 1/20 0.35
KCNH2 Q12809 1/20 0.35
DRD2 P14416 5/20 0.34

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
SCHEMBL1456957 0.87 TLR7 (0.49) HTTNPC1RAB9ACYP11B1CYP11B2
SCHEMBL1457009 0.83 HTT (0.42) TOP1HTTNPC1RAB9ACYP11B1
SCHEMBL1456858 0.83 TLR7 (0.41) TOP1NPC1RAB9ACYP11B1CYP11B2
SCHEMBL1456911 0.81 TOP1 (0.41) TOP1NPC1RAB9ATLR7DRD2
SCHEMBL1456943 0.81 HTT (0.42) HTTNPC1RAB9ACYP11B1CYP11B2
SCHEMBL1456616 0.80 TLR7 (0.44) TOP1TLR7
SCHEMBL1456626 0.79 TLR7 (0.42) TOP1NPC1RAB9ATLR7NUDT1
SCHEMBL1456582 0.77 HTT (0.35) HTTNPC1RAB9ACYP11B1CYP11B2
SCHEMBL1457397 0.76 HTT (0.45) HTTNPC1RAB9ACYP11B1CYP11B2
SCHEMBL1456641 0.76 HTT (0.41) TOP1HTTNPC1RAB9ACYP11B1

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 7 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
WO-2006065280-A2 ISOXAZOLE, DIHYDROISOXAZOLE, AND OXADIAZOLE SUBSTITUTED IMIDAZO RING COMPOUNDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-06-22 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-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method IFNG, IL4, IL2 TOP1 231/4885HTT 4596/4885NPC1 2667/4885

“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.