SCHEMBL3389168

SCHEMBL3389168

N#Cc1cncc(-c2nccs2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.49
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PDPK1 O15530 1/20 0.42
MAP4K4 O95819 1/20 0.40
ADRB2 P07550 1/20 0.38
CHRNB2 P17787 4/20 0.38
CHRNB4 P30926 4/20 0.38
CHRNA3 P32297 4/20 0.38
CHRNA4 P43681 4/20 0.38
CHRNA7 P36544 3/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
SMPD3 Q9NY59 1/20 0.37
P4HTM Q9NXG6 1/20 0.36
CHEK2 O96017 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CDC42BPB Q9Y5S2 1/20 0.35

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
SCHEMBL868047 0.77 CLK4 (0.57) CYP2A6PDPK1LOXL2
SCHEMBL2983844 0.75 CYP11B2 (0.61) CYP11B1CYP11B2MAP4K4CHRNB2CHRNB4
SCHEMBL2225287 0.75 PDPK1 (0.57) CYP2A6CYP11B2PDPK1ADRB2LOXL2
SCHEMBL3386179 0.74 CYP2A6 (0.53) CYP2A6CYP11B1CYP11B2PDPK1ADRB2
SCHEMBL20153302 0.74 CYP2A6 (0.54) CYP2A6CYP11B1CYP11B2PDPK1ADRB2
SCHEMBL2715410 0.74 CYP2A6 (0.53) CYP2A6CYP11B1CYP11B2PDPK1ADRB2
SCHEMBL14908855 0.74 CYP2A6 (0.53) CYP2A6CYP11B1CYP11B2PDPK1ADRB2
SCHEMBL17116680 0.72 CYP11B2 (0.58) CYP11B1CYP11B2MAP4K4CHRNB2CHRNB4
SCHEMBL7079127 0.71 PDPK1 (0.67) CYP2A6CYP11B1CYP11B2PDPK1ADRB2
SCHEMBL2989441 0.71 CYP2A6 (0.71) CYP2A6CYP11B1CYP11B2MAP4K4CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9044015-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-20140148471-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-05-29 US disclosed
US-20120165345-A1 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2012-06-28 US disclosed
WO-2012000896-A2 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-01-05 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 (2 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-20140148471-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, PTMS CYP2A6 777/4885CYP11B1 339/4885CYP11B2 313/4885
US-20120165345-A1 Heterocyclic compounds as pesticides DDT, ACHE, PTMS CYP2A6 777/4885CYP11B1 339/4885CYP11B2 313/4885

“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.