SCHEMBL4559809

SCHEMBL4559809

N#Cc1ccc(C2CNC=N2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.38
KDM1A O60341 1/20 0.38
CYP19A1 P11511 5/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP11B1 P15538 3/20 0.33
KCNH2 Q12809 1/20 0.33
PGR P06401 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 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
SCHEMBL11547375 0.76 SLC6A3 (0.44) KDM1A
SCHEMBL11545883 0.75 SLC18A3 (0.39) KDM1AKCNH2CYP2A6
SCHEMBL11828815 0.71
SCHEMBL2300047 0.71 CHRNA1 (0.55) KCNH2ALDH1A1CYP2A6CA12CA2
Hydrochloric Acid SCHEMBL2309625 0.69 CHRNA1 (0.53) CYP19A1KCNH2ALDH1A1CYP2A6CA12
SCHEMBL5958188 0.68 GRIA1 (0.49) CYP11B2CYP19A1CYP11B1KCNH2ALDH1A1
SCHEMBL24991111 0.67 HRH3 (0.51) KCNH2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL14862100 0.67 HTR3A (0.61) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL718308 0.66 SLC18A3 (0.57) KDM1A
Hydrochloric Acid SCHEMBL29051119 0.66 HTR3A (0.59) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178658-B2 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES, LLC (US) 2012-05-15 US disclosed
US-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES LLC (US) 2009-08-20 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-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DDT, ACHE, NANP CYP11B2 1981/4885KDM1A 1777/4885CYP19A1 958/4885

“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.