SCHEMBL22280576

SCHEMBL22280576

CCS(=O)(=O)c1ccc(-n2cc(C#N)cn2)nc1-c1nc2cc(C(F)(F)F)nc(C)c2n1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 5/20 0.33
▸ SDHB P21912 2/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ ELANE P08246 2/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ GRM2 Q14416 1/20 0.30
▸ EGLN1 Q9GZT9 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
SCHEMBL22419059 0.93 DDR1 (0.33) DDR1SDHBPDE10AS1PR1GRM2
SCHEMBL22280382 0.87 SMN1; SMN2 (0.37) DDR1EGLN1
SCHEMBL20455829 0.85 SMN1; SMN2 (0.35) DDR1
SCHEMBL21805954 0.82 HSD17B10 (0.34) —
SCHEMBL20465863 0.80 — —
SCHEMBL20468526 0.79 ALDH1A1 (0.32) DDR1
SCHEMBL20465929 0.76 PDE10A (0.32) PDE10A
SCHEMBL18015922 0.75 PDE10A (0.35) DDR1PDE10AS1PR1EGLN1
SCHEMBL18357972 0.75 DDR1 (0.35) DDR1PDE10AEGLN1
SCHEMBL20687612 0.74 S1PR1 (0.37) DDR1SDHBPDE10AELANES1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200236940-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-07-30 — — 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 (1 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-20200236940-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES CYP4X1, CYP1A1, CYP1A2 DDR1 2858/4885SDHB 3386/4885PDE10A 1669/4885

“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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