SCHEMBL6161979

SCHEMBL6161979

C#Cc1cc(C(F)(F)F)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.52
NOS2 P35228 1/20 0.52
ADRB1 P08588 1/20 0.40
MAPK1 P28482 2/20 0.37
ADRB2 P07550 2/20 0.36
METAP2 P50579 1/20 0.34
AURKA O14965 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KIF11 P52732 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMO O15229 1/20 0.33
CTSS P25774 1/20 0.33
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32

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
SCHEMBL29624440 1.00 NOS3 (0.52) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL20448716 0.80 NOS3 (0.52) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL29775960 0.80 NOS3 (0.52) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL9004182 0.80 HDAC8 (0.37) NOS3NOS2ALDH1A1GAAL3MBTL1
SCHEMBL2334808 0.80 NOS3 (0.52) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL28726473 0.77 NOS3 (0.48) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL18857402 0.76 MAPK1 (0.37) MAPK1ALDH1A1HDAC8NPSR1NPC1
SCHEMBL20927047 0.74 PRKCQ (0.34) HDAC8
SCHEMBL31275586 0.74 JAK2 (0.42) HDAC8
SCHEMBL6159726 0.74 NOS3 (0.46) NOS3NOS2ADRB1MAPK1ADRB2

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
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP claimed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US claimed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP claimed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 WO claimed
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
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US disclosed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP disclosed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US disclosed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP disclosed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 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 (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-20040192914-A1 Compounds and methods METAP2, METAP1, DNPEP NOS3 84/4885NOS2 54/4885ADRB1 3182/4885
US-20180290986-A1 1,2,3-TRIAZOLE DERIVATIVE AND INSECTICIDE AND ACARICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT AADAC, CYP51A1, NAT1 NOS3 314/4885NOS2 943/4885ADRB1 1943/4885
US-10377737-B2 1,2,3-triazole derivative and insecticide and acaricide containing said derivative as active ingredient AADAC, CYP51A1, NAT1 NOS3 314/4885NOS2 943/4885ADRB1 1943/4885
US-20050143578-A1 Compounds and methods METAP2, METAP1, DNPEP NOS3 99/4885NOS2 43/4885ADRB1 3164/4885
US-11046659-B2 1,2,3-triazole derivative and insecticide and acaricide containing said derivative as active ingredient AADAC, CYP51A1, NAT1 NOS3 314/4885NOS2 943/4885ADRB1 1943/4885
US-20190322630-A1 1,2,3-TRIAZOLE DERIVATIVE AND INSECTICIDE AND ACARICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT AADAC, CYP51A1, NAT1 NOS3 314/4885NOS2 943/4885ADRB1 1943/4885

“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.