SCHEMBL17023391

SCHEMBL17023391

Cc1c[c]c(C#N)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 17/20 0.40
ALDH1A1 P00352 3/20 0.37
GLA P06280 3/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.37
ATM Q13315 1/20 0.34

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
SCHEMBL22289676 0.79 AR (0.38) ARALDH1A1GLAGAAHPGD
SCHEMBL20815422 0.75 AR (0.31) AR
SCHEMBL15064077 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL15063613 0.74 AR (0.31) AR
SCHEMBL17023385 0.73 KDM4E (0.39) ARALDH1A1GLAGAAHPGD
SCHEMBL80564 0.70 KDM4E (0.55) ARALDH1A1GLAGAAHPGD
SCHEMBL19304808 0.69 L3MBTL1 (0.41) ARALDH1A1GLAGAAHPGD
SCHEMBL409108 0.65 AR (0.74) AR
SCHEMBL4290698 0.65 AR (0.38) AR
SCHEMBL25613913 0.65 KDM4E (0.50) ARALDH1A1GLAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548854-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2023-01-10 US disclosed
US-11332448-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2022-05-17 US disclosed
CN-114401963-A Pesticidally active cyclic amine compounds 先正达农作物保护股份公司 2022-04-26 CN disclosed
US-10961201-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2021-03-30 US disclosed
US-20210053924-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-02-25 US disclosed
US-20210017136-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-01-21 US disclosed
US-10689348-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2020-06-23 US disclosed
US-10435374-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2019-10-08 US disclosed
US-9802899-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2017-10-31 US disclosed
US-20170305864-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-10-26 US disclosed
US-20150239847-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2015-08-27 US 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 (9 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-10435374-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS AR 4017/4885ALDH1A1 2740/4885GLA 2632/4885
US-20170305864-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS AR 4017/4885ALDH1A1 2740/4885GLA 2632/4885
US-10961201-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS AR 4017/4885ALDH1A1 2740/4885GLA 2632/4885
US-10689348-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS AR 4017/4885ALDH1A1 2740/4885GLA 2632/4885
US-11548854-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS AR 4017/4885ALDH1A1 2740/4885GLA 2632/4885
US-20210053924-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS AR 4017/4885ALDH1A1 2740/4885GLA 2632/4885
US-11332448-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS AR 4017/4885ALDH1A1 2740/4885GLA 2632/4885
US-20210017136-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS AR 4017/4885ALDH1A1 2740/4885GLA 2632/4885
US-20150239847-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS AR 4017/4885ALDH1A1 2740/4885GLA 2632/4885

“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.