SCHEMBL4549459

SCHEMBL4549459

O=Cc1ccc(-c2cn(-c3ccccc3)nn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.58
KDR P35968 4/20 0.57
PTGS2 P35354 3/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA5A P35218 2/20 0.54
CA5B Q9Y2D0 2/20 0.54
PTGS1 P23219 2/20 0.54
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
OGT O15294 2/20 0.51
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
CDC7 O00311 1/20 0.49
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
HDAC6 Q9UBN7 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL28335289 0.94 CA2 (0.61) P2RX7KDRPTGS2CA1CA2
SCHEMBL28418132 0.85 PTGS2 (0.64) KDRPTGS2CA1CA2CA5A
SCHEMBL1230837 0.85 FLT3 (0.64) PTGS2CA1CA2CA5ACA5B
SCHEMBL28416367 0.85 PTGS2 (0.63) KDRPTGS2CA1CA2CA5A
SCHEMBL28408386 0.84 FLT3 (0.69) KDRPTGS2PTGS1CA12CA9
SCHEMBL29657637 0.84 FLT3 (0.69) KDRPTGS2PTGS1CA12CA9
SCHEMBL28408538 0.83 KDR (0.61) KDRPTGS2CA1CA2CA5A
SCHEMBL29657643 0.83 KDR (0.61) KDRPTGS2CA1CA2CA5A
SCHEMBL29657629 0.83 STS (0.62) KDRPTGS2CA1CA2CA5A
SCHEMBL28418357 0.83 STS (0.62) KDRPTGS2CA1CA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111153889-B 2-indolone-triazole anti-tumor compound and preparation method and application thereof 中国医科大学 2022-05-20 CN disclosed
CN-111153889-A 2-indolone-triazole anti-tumor compound and preparation method and application thereof 中国医科大学 2020-05-15 CN disclosed
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
US-9179681-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-11-10 US 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
US-20140148340-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-29 US disclosed
US-8680269-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-25 US disclosed
US-20120172217-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 US 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
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 (6 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 P2RX7 724/4885KDR 4348/4885PTGS2 2546/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS P2RX7 289/4885KDR 4680/4885PTGS2 910/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS P2RX7 289/4885KDR 4680/4885PTGS2 910/4885
US-20140148340-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 P2RX7 137/4885KDR 4255/4885PTGS2 726/4885
US-20120172217-A1 PESTICIDAL COMPOSITIONS DDT, AADAC, ACHE P2RX7 1123/4885KDR 4300/4885PTGS2 1600/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS P2RX7 289/4885KDR 4680/4885PTGS2 910/4885

“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.