SCHEMBL21767967

SCHEMBL21767967

NNc1cc(C(F)(F)F)ncn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.55
CHKA P35790 1/20 0.55
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.36
LOX P28300 1/20 0.35
ABL1 P00519 2/20 0.34
BCR P11274 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAP4K4 O95819 1/20 0.32
THRB P10828 1/20 0.32
SCN9A Q15858 1/20 0.32
KDM4E B2RXH2 1/20 0.31
BRAF P15056 2/20 0.31
RAF1 P04049 1/20 0.31
KDR P35968 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL21767973 0.84 CA2 (0.38) CA2CHKAALDH1A1GAAMAPT
SCHEMBL12145435 0.79 CYP1A2 (0.50) CA2CHKAALDH1A1CYP1A2CYP3A4
SCHEMBL4076540 0.77 L3MBTL1 (0.42) ALDH1A1GAAMAPTRAB9AKDM4E
SCHEMBL21016523 0.76 CA2 (0.47) CA2CHKALOXL2ABL1BCR
SCHEMBL23768319 0.75 CYP1A2 (0.48) CA2CHKAALDH1A1CYP1A2CYP3A4
SCHEMBL29638932 0.71 CA2 (1.00) CA2CHKAALDH1A1LOXL2LOX
SCHEMBL27722 0.71 CA2 (1.00) CA2CHKAALDH1A1LOXL2LOX
SCHEMBL21016689 0.71 CA2 (0.42) CA2CHKALOXL2LOXABL1
SCHEMBL22971115 0.70 ABL1 (0.46) CA2CHKAALDH1A1ABL1BCR
SCHEMBL9367829 0.70 CA2 (0.95) CA2CHKAALDH1A1LOXL2LOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504762-A Pyrimidine-containing triazole thioether amide derivative, and preparation method and application thereof 贵阳学院 2025-02-25 CN claimed
US-20250228241-A1 PYRIMIDINYL TRIAZOLE COMPOUND OR SALT THEREOF, PEST CONTROL AGENT CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT, AND PEST CONTROL METHOD NIHON NOHYAKU CO., LTD. (JP) 2025-07-17 US disclosed
CN-119907790-A Pyrazole amide insecticidal agents FMC公司 2025-04-29 CN disclosed
CN-119504762-A Pyrimidine-containing triazole thioether amide derivative, and preparation method and application thereof 贵阳学院 2025-02-25 CN disclosed
EP-4414364-A1 PYRIMIDINYL TRIAZOLE COMPOUND OR SALT THEREOF, PEST CONTROL AGENT CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT, AND PEST CONTROL METHOD Nihon Nohyaku Co., Ltd. (JP) 2024-08-14 EP disclosed
CN-118076598-A Pyrimidinyl triazole compound or salt thereof, and pest control agent and pest control method each containing the same as active ingredient 日本农药株式会社 2024-05-24 CN disclosed
EP-3617207-B1 CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND OR THE SALT, AND METHOD FOR USING THE INSECTICIDE NIHON NOHYAKU CO LTD (JP) 2023-06-28 EP disclosed
EP-3617207-B1 CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND OR THE SALT, AND METHOD FOR USING THE INSECTICIDE NIHON NOHYAKU CO LTD (JP) 2023-06-28 EP disclosed
WO-2023058748-A1 PYRIMIDINYL TRIAZOLE COMPOUND OR SALT THEREOF, PEST CONTROL AGENT CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT, AND PEST CONTROL METHOD 日本農薬株式会社 2023-04-13 WO disclosed
CN-110582498-B Condensed heterocyclic compound or salt thereof, agricultural and horticultural insecticide containing the same, and method of using the same 日本农药株式会社 2022-06-24 CN disclosed
US-11064699-B2 Condensed heterocyclic compound or salt thereof, agricultural and horticultural insecticide comprising the compound or the salt, and method for using the insecticide NIHON NOHYAKU CO., LTD. (JP) 2021-07-20 US disclosed
US-11064699-B2 Condensed heterocyclic compound or salt thereof, agricultural and horticultural insecticide comprising the compound or the salt, and method for using the insecticide NIHON NOHYAKU CO., LTD. (JP) 2021-07-20 US disclosed
US-20200068893-A1 CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND OR THE SALT, AND METHOD FOR USING THE INSECTICIDE NIHON NOHYAKU CO., LTD. (JP) 2020-03-05 US disclosed
US-20200068893-A1 CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND OR THE SALT, AND METHOD FOR USING THE INSECTICIDE NIHON NOHYAKU CO., LTD. (JP) 2020-03-05 US disclosed
EP-3617207-A1 FUSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL OR HORTICULTURAL INSECTICIDE CONTAINING EITHER COMPOUND, AND METHOD FOR USING SAID INSECTICIDE Nihon Nohyaku Co., Ltd. (JP) 2020-03-04 EP disclosed
CN-110582498-A Condensed heterocyclic compound or salt thereof, agricultural and horticultural insecticide containing the same, and method of using the same 日本农药株式会社 2019-12-17 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 (3 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-20200068893-A1 CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND OR THE SALT, AND METHOD FOR USING THE INSECTICIDE H1-0, H1-3, H1-2 CA2 226/4885CHKA 2665/4885ALDH1A1 2361/4885
US-20250228241-A1 PYRIMIDINYL TRIAZOLE COMPOUND OR SALT THEREOF, PEST CONTROL AGENT CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT, AND PEST CONTROL METHOD WASHC5, TAC3, PSTPIP2 CA2 1156/4885CHKA 3495/4885ALDH1A1 2755/4885
US-11064699-B2 Condensed heterocyclic compound or salt thereof, agricultural and horticultural insecticide comprising the compound or the salt, and method for using the insecticide H1-0, H1-3, H1-2 CA2 226/4885CHKA 2665/4885ALDH1A1 2361/4885

“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.