SCHEMBL17986663

SCHEMBL17986663

CCSc1cc(/C=C/C(=O)OC)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.51
▸ KMT2A Q03164 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ APP P05067 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MLYCD O95822 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ IDH1 O75874 1/20 0.31
▸ ALDH1A1 P00352 4/20 0.30
▸ CHRNA7 P36544 1/20 0.30
▸ TTR P02766 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL19664190 1.00 POLB (0.51) POLBKMT2ASMN1; SMN2KDM4EAPP
SCHEMBL28451975 0.90 POLB (0.51) POLBKMT2AKDM4EAPPL3MBTL1
SCHEMBL25765995 0.85 POLB (0.48) POLB
SCHEMBL18760427 0.83 POLB (0.49) POLBKMT2AMEN1ALDH1A1
SCHEMBL29431598 0.83 POLB (0.52) POLBKMT2ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL14677239 0.83 POLB (0.52) POLBKMT2ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL17986796 0.82 POLB (0.52) POLBKMT2AL3MBTL1MEN1GRIN1
SCHEMBL23971584 0.80 POLB (0.50) POLBKMT2AKDM4EMEN1ALDH1A1
SCHEMBL17986795 0.80 POLB (0.47) POLBKMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL15868302 0.79 POLB (0.48) POLBKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3252046-B1 FUSED HETEROCYCLIC COMPOUND HAVING CYCLOALKYLPYRIDYL GROUP OR SALT THEREOF, AND AGRICULTURAL OR HORTICULTURAL INSECTICIDE CONTAINING SAID COMPOUND AND USE METHOD THEREFOR NIHON NOHYAKU CO LTD (JP) 2020-04-01 — — EP disclosed
US-10266552-B2 Condensed heterocyclic compound having cycloalkylpyridyl group or salt thereof, agricultural and horticultural insecticide comprising the compound, and method for using the insecticide NIHON NOHYAKU CO., LTD. (JP) 2019-04-23 — — US disclosed
US-10266552-B2 Condensed heterocyclic compound having cycloalkylpyridyl group or salt thereof, agricultural and horticultural insecticide comprising the compound, and method for using the insecticide NIHON NOHYAKU CO., LTD. (JP) 2019-04-23 — — US disclosed
US-20180002347-A1 CONDENSED HETEROCYCLIC COMPOUND HAVING CYCLOALKYLPYRIDYL GROUP OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE NIHON NOHYAKU CO., LTD. (JP) 2018-01-04 — — US disclosed
EP-3252046-A1 FUSED HETEROCYCLIC COMPOUND HAVING CYCLOALKYLPYRIDYL GROUP OR SALT THEREOF, AND AGRICULTURAL OR HORTICULTURAL INSECTICIDE CONTAINING SAID COMPOUND AND USE METHOD THEREFOR Nihon Nohyaku Co., Ltd. (JP) 2017-12-06 — — EP disclosed
WO-2016121997-A1 FUSED HETEROCYCLIC COMPOUND HAVING CYCLOALKYLPYRIDYL GROUP OR SALT THEREOF, AND AGRICULTURAL OR HORTICULTURAL INSECTICIDE CONTAINING SAID COMPOUND AND USE METHOD THEREFOR 日本農薬株式会社 2016-08-04 — — 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 (2 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-20180002347-A1 CONDENSED HETEROCYCLIC COMPOUND HAVING CYCLOALKYLPYRIDYL GROUP OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE DDT, HCN3, HCN1 POLB 3724/4885KMT2A 170/4885SMN1; SMN2 3421/4885
US-10266552-B2 Condensed heterocyclic compound having cycloalkylpyridyl group or salt thereof, agricultural and horticultural insecticide comprising the compound, and method for using the insecticide DDT, HCN3, HCN1 POLB 3724/4885KMT2A 170/4885SMN1; SMN2 3421/4885

“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.

Send feedback