SCHEMBL18136193

SCHEMBL18136193

Cc1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
NR3C1 P04150 1/20 0.40
AGBL2 Q5U5Z8 1/20 0.36
GRIN1 Q05586 4/20 0.35
GRIN2B Q13224 4/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
STAT3 P40763 1/20 0.35
STAT1 P42224 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
CDK9 P50750 1/20 0.35
DYRK1A Q13627 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL19299830 0.87 POLB (0.42) POLBNR3C1GRIN1GRIN2BALDH1A1
SCHEMBL20636715 0.82 POLB (0.48) POLBALDH1A1RAB9AMEN1KMT2A
SCHEMBL16593897 0.82 POLB (0.48) POLBALDH1A1RAB9AMEN1KMT2A
SCHEMBL19974042 0.82 POLB (0.48) POLBNR3C1AGBL2GRIN1GRIN2B
SCHEMBL31141582 0.81 POLB (0.48) POLBAGBL2GRIN1GRIN2BALDH1A1
SCHEMBL18506073 0.80 POLB (0.46) POLBAGBL2GRIN1GRIN2BALDH1A1
SCHEMBL22901345 0.80 POLB (0.52) POLBAGBL2GRIN1GRIN2BALDH1A1
SCHEMBL20189025 0.78 POLB (0.46) POLBALDH1A1RAB9AMEN1KMT2A
SCHEMBL15862982 0.78 RAB9A (0.48) POLBALDH1A1RAB9AMEN1KMT2A
SCHEMBL15427218 0.78 POLB (0.46) POLBAGBL2GRIN1GRIN2BALDH1A1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167122-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-06-01 US disclosed
WO-2022253841-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2022-12-08 WO disclosed
WO-2021219810-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2021-11-04 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
EP-3896066-A2 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2021-10-20 EP disclosed
EP-3896065-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2021-10-20 EP disclosed
US-11058115-B2 Heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2021-07-13 US disclosed
EP-3331870-B1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-06-16 EP disclosed
US-20210139480-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-05-13 US disclosed
US-10986840-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-04-27 US disclosed
WO-2020002082-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO 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-2018050515-A1 METHOD FOR PRODUCING HALOGENATED BICYCLIC COMPOUNDS 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-2017025419-A2 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-16 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-10986840-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides CYP1A1, CYP8B1, CYP1B1 POLB 4837/4885NR3C1 1798/4885AGBL2 2581/4885
US-11058115-B2 Heterocycle derivatives as pesticides DDT, CBR3, CBR1 POLB 4656/4885NR3C1 3269/4885AGBL2 3537/4885
US-20210139480-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 POLB 4632/4885NR3C1 3423/4885AGBL2 3794/4885
US-20190248811-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, BCHE, ACHE POLB 3706/4885NR3C1 2517/4885AGBL2 2442/4885
US-20230167122-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, AADAC, ACAA2 POLB 4665/4885NR3C1 4279/4885AGBL2 1115/4885

“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.