Sugi Predict

Sugi Predict / Compounds / SCHEMBL18136192

SCHEMBL18136192

SCHEMBL18136192

Cc1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 4/20 0.42
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ PDGFRB P09619 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ NPC1 O15118 6/20 0.35
▸ RAB9A P51151 6/20 0.35
▸ HTT P42858 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HDAC1 Q13547 2/20 0.33

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
SCHEMBL21698431 0.89 KDM4E (0.44) KDM4EALDH1A1LMNAMAPTCHRNB2
SCHEMBL19299831 0.87 KDM4E (0.42) KDM4EALDH1A1LMNAMAPTCHRNB2
SCHEMBL21230341 0.82 CA2 (0.37) KDM4EALDH1A1
SCHEMBL21065788 0.82 ALOX15 (0.32) HTT
SCHEMBL19974053 0.82 QRFPR (0.33) —
SCHEMBL29538895 0.82 QRFPR (0.33) HTT
SCHEMBL19974425 0.82 QRFPR (0.33) HTT
SCHEMBL25888568 0.81 CNR2 (0.35) —
SCHEMBL21698353 0.80 MCHR1 (0.34) IRAK4
SCHEMBL20100075 0.80 S1PR1 (0.36) CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022253841-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2022-12-08 — — WO disclosed
EP-3515921-B1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-10-27 — — EP disclosed
US-11058115-B2 Heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2021-07-13 — — US disclosed
EP-3568392-B1 IMIDAZOLE DERIVATIVES AS PEST CONTROL AGENTS BAYER AG (DE) 2021-02-24 — — EP disclosed
EP-3356362-B1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLIC DERIVATIVES USEFUL AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-02-03 — — EP disclosed
EP-3766881-A1 HETEROARYL PYRIMIDINE COMPOUND AND PEST CONTROL AGENT Nippon Soda Co., Ltd. (JP) 2021-01-20 — — EP disclosed
US-20210002263-A1 HETEROARYLPYRIMIDINE COMPOUND AND FORMULATION FOR CONTROLLING HARMFUL ORGANISMS NIPPON SODA CO., LTD. (JP) 2021-01-07 — — US disclosed
US-10611779-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-04-07 — — US disclosed
US-20200054017-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-20 — — US disclosed
EP-3402797-B1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2020-02-19 — — EP disclosed
EP-3280716-B1 IMIDAZO[1,2-A]PYRIDIN-2-YL DERIVATIVES AS PESTICIDES AND INTERMEDIATES THEREOF BAYER CROPSCIENCE AG (DE) 2020-02-12 — — EP disclosed
WO-2019176791-A1 HETEROARYL PYRIMIDINE COMPOUND AND PEST CONTROL AGENT 日本曹達株式会社 2019-09-19 — — WO disclosed
US-20190248811-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-15 — — US disclosed
WO-2018138050-A1 CONDENSED BICYCLIC HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2018-08-02 — — WO disclosed
WO-2018130437-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2018-07-19 — — WO disclosed
WO-2018050825-A1 PYRAZOLO [1,5-A]PYRIDINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-22 — — WO disclosed
WO-2017144341-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-08-31 — — WO disclosed
WO-2017121674-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-20 — — WO disclosed
WO-2016162318-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS AND INTERMEDIATE PRODUCT BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-10-13 — — 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 (5 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-11058115-B2 Heterocycle derivatives as pesticides DDT, CBR3, CBR1 KDM4E 2375/4885ALDH1A1 817/4885LMNA 1341/4885
US-10611779-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, BCHE, ACHE KDM4E 2426/4885ALDH1A1 280/4885LMNA 1299/4885
US-20190248811-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, BCHE, ACHE KDM4E 2426/4885ALDH1A1 280/4885LMNA 1299/4885
US-20200054017-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 KDM4E 2375/4885ALDH1A1 817/4885LMNA 1341/4885
US-20210002263-A1 HETEROARYLPYRIMIDINE COMPOUND AND FORMULATION FOR CONTROLLING HARMFUL ORGANISMS CBR3, RRBP1, RRP15 KDM4E 2508/4885ALDH1A1 809/4885LMNA 4801/4885

“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.

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