SCHEMBL2743433

SCHEMBL2743433

N#Cc1ccc(-c2ccnc(Cl)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.48
CYP11B2 P19099 2/20 0.44
MAP4K4 O95819 1/20 0.44
MMP3 P08254 1/20 0.44
PLAU P00749 1/20 0.43
GRM5 P41594 1/20 0.43
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
CYP11B1 P15538 1/20 0.41
KIF11 P52732 2/20 0.41
IDO1 P14902 1/20 0.41
CYP19A1 P11511 1/20 0.41
RIPK1 Q13546 1/20 0.41
EGLN2 Q96KS0 1/20 0.41

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
SCHEMBL5562895 0.82 CLK4 (0.59) MAP4K4PLAUGRM5IDO1EGLN2
SCHEMBL3362125 0.80 EGLN2 (0.50) MAPKAPK2CYP11B2MAP4K4GRM5GSK3B
SCHEMBL4027001 0.79 IDO1 (0.55) MAPKAPK2MAP4K4GSK3BIDO1CYP19A1
SCHEMBL18123834 0.79 MMP3 (0.48) CYP11B2MAP4K4MMP3PLAUKIF11
SCHEMBL222313 0.78
SCHEMBL29413268 0.78
SCHEMBL3500189 0.78 MAP4K4 (0.49) MAPKAPK2MAP4K4IDO1
SCHEMBL7016006 0.78 GRM5 (0.53) CYP11B2GRM5CYP11B1EGLN2
SCHEMBL3397985 0.78 DYRK1A (0.54) MAPKAPK2CYP11B2MAP4K4MMP3GSK3B
SCHEMBL29432635 0.78 DYRK1A (0.54) MAPKAPK2CYP11B2MAP4K4MMP3GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
EP-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 EP disclosed
US-9018363-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-28 US disclosed
US-9006468-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-04-14 US disclosed
US-20150080326-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-03-19 US disclosed
CN-101998963-B Insecticidal composition DOW AGROSCIENCES LLC 2014-09-24 CN disclosed
US-20120172218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 US disclosed
US-20120122805-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-05-17 US disclosed
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
CN-101998963-A Insecticidal composition DOW AGROSCIENCES LLC (US) 2011-03-30 CN disclosed
EP-2247603-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2010-11-10 EP disclosed
WO-2009102736-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2009-08-20 WO 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 (4 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 MAPKAPK2 4198/4885CYP11B2 1981/4885MAP4K4 4393/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MAPKAPK2 3870/4885CYP11B2 1884/4885MAP4K4 4597/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MAPKAPK2 3870/4885CYP11B2 1884/4885MAP4K4 4597/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MAPKAPK2 3870/4885CYP11B2 1884/4885MAP4K4 4597/4885

“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.