SCHEMBL20526155

SCHEMBL20526155

O=C(Nc1ccncc1)c1c[c]cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.53
TYK2 P29597 2/20 0.53
JAK1 P23458 1/20 0.53
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TRPA1 O75762 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
HIF1A Q16665 1/20 0.48
EPAS1 Q99814 1/20 0.48
EPHX2 P34913 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TRPV1 Q8NER1 2/20 0.48
PTGS1 P23219 2/20 0.48
BRAF P15056 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL20526156 0.86 LMNA (0.67) NPC1RAB9ALMNAHDAC3HDAC8
SCHEMBL20526128 0.84 EPHX2 (0.62) NPC1RAB9ALMNAHIF1AEPHX2
SCHEMBL20526133 0.83 RHOC (0.61) NPC1RAB9ALMNAHDAC3HDAC8
SCHEMBL8298025 0.79 GAA (0.79) JAK2TYK2KDM4EL3MBTL1NPC1
SCHEMBL20526139 0.77 NPC1 (0.56) KDM4EL3MBTL1NPC1RAB9ALMNA
SCHEMBL20526157 0.74 CES2 (0.41) KDM4ERAB9ALMNAGAAHDAC8
SCHEMBL19774543 0.73 KDM4E (0.80) JAK2TYK2KDM4EL3MBTL1NPC1
SCHEMBL6156938 0.72 HDAC3 (0.66) NPC1RAB9ALMNAHDAC3HDAC8
SCHEMBL3486022 0.71 RXFP1 (0.79) NPC1RAB9ATRPA1LMNAPTGS1
SCHEMBL7513604 0.71 TRPV1 (0.83) NPC1RAB9ALMNAEPHX2HDAC3

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
CN-108368064-B 1,2, 3-triazole derivative and insecticide and acaricide comprising the same as active ingredient 北兴化学工业株式会社 2022-04-26 CN disclosed
US-11046659-B2 1,2,3-triazole derivative and insecticide and acaricide containing said derivative as active ingredient HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2021-06-29 US disclosed
US-20190322630-A1 1,2,3-TRIAZOLE DERIVATIVE AND INSECTICIDE AND ACARICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2019-10-24 US disclosed
US-10377737-B2 1,2,3-triazole derivative and insecticide and acaricide containing said derivative as active ingredient HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2019-08-13 US disclosed
US-20180290986-A1 1,2,3-TRIAZOLE DERIVATIVE AND INSECTICIDE AND ACARICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2018-10-11 US disclosed
EP-3385254-A1 1,2,3-TRIAZOLE DERIVATIVE AND INSECTICIDE/ACARICIDE HAVING SAID DERIVATIVE AS ACTIVE INGREDIENT Hokko Chemical Industry Co., Ltd. (JP) 2018-10-10 EP disclosed
CN-108368064-A 1,2, 3-triazole derivative and insecticide and acaricide comprising the same as active ingredient 北兴化学工业株式会社 2018-08-03 CN 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-20180290986-A1 1,2,3-TRIAZOLE DERIVATIVE AND INSECTICIDE AND ACARICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT AADAC, CYP51A1, NAT1 JAK2 4734/4885TYK2 3559/4885JAK1 4306/4885
US-10377737-B2 1,2,3-triazole derivative and insecticide and acaricide containing said derivative as active ingredient AADAC, CYP51A1, NAT1 JAK2 4734/4885TYK2 3559/4885JAK1 4306/4885
US-11046659-B2 1,2,3-triazole derivative and insecticide and acaricide containing said derivative as active ingredient AADAC, CYP51A1, NAT1 JAK2 4734/4885TYK2 3559/4885JAK1 4306/4885
US-20190322630-A1 1,2,3-TRIAZOLE DERIVATIVE AND INSECTICIDE AND ACARICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT AADAC, CYP51A1, NAT1 JAK2 4734/4885TYK2 3559/4885JAK1 4306/4885

“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.