SCHEMBL20455824

SCHEMBL20455824

CCS(=O)(=O)c1ccc(-n2ncn(-c3ccc(Cl)cc3)c2=O)nc1-c1nc2cc(C(F)(F)F)nc(C#N)c2n1C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 12/20 0.34
▸ PTGS2 P35354 3/20 0.32
▸ PTGS1 P23219 2/20 0.32
▸ EIF4EBP1 Q13541 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ LMNA P02545 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
SCHEMBL22280677 0.93 DDR1 (0.34) DDR1PTGS2PTGS1LMNA
SCHEMBL22280578 0.91 DDR1 (0.35) DDR1PTGS2PTGS1LMNA
SCHEMBL22280386 0.90 DDR1 (0.34) DDR1PTGS2PTGS1LMNA
SCHEMBL22280780 0.88 DDR1 (0.33) DDR1PTGS2PTGS1
SCHEMBL20465861 0.85 EIF4EBP1 (0.31) EIF4EBP1
SCHEMBL22280580 0.84 DDR1 (0.36) DDR1PTGS2PTGS1
SCHEMBL25868545 0.82 PTGS2 (0.31) PTGS2
SCHEMBL20455829 0.82 SMN1; SMN2 (0.35) DDR1EIF4EBP1
SCHEMBL29521486 0.82 DDR1 (0.35) DDR1PTGS2EIF4EBP1CTSSLMNA
SCHEMBL20455821 0.82 DDR1 (0.35) DDR1PTGS2EIF4EBP1CTSSLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110248941-B Aryl-or heteroaryl-substituted imidazopyridine derivatives and their use as pesticides 拜耳公司 2022-09-06 — — CN disclosed
US-10772332-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2020-09-15 — — US disclosed
US-10772332-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2020-09-15 — — US disclosed
US-20200236940-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-07-30 — — US disclosed
US-20200236940-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-07-30 — — US disclosed
WO-2018141954-A1 ARYL OR HETEROARYL-SUBSTITUTED IMIDAZO PYRIDINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2018-08-09 — — WO disclosed
WO-2018141954-A1 ARYL OR HETEROARYL-SUBSTITUTED IMIDAZO PYRIDINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2018-08-09 — — 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-10772332-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides CYP4X1, CYP1A1, CYP1A2 DDR1 2858/4885PTGS2 354/4885PTGS1 619/4885
US-20200236940-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES CYP4X1, CYP1A1, CYP1A2 DDR1 2858/4885PTGS2 354/4885PTGS1 619/4885

“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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