SCHEMBL20687622

SCHEMBL20687622

CCS(=O)(=O)c1cc(Cl)c(NC)nc1-n1cc2cnc(C(F)(F)F)cc2n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.34
▸ DDR1 Q08345 6/20 0.33
▸ USP1 O94782 1/20 0.33
▸ POLB P06746 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.30
▸ SCN9A Q15858 1/20 0.30
▸ CCR2 P41597 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL19250644 0.87 USP1 (0.34) DDR1USP1EGLN1
SCHEMBL19209965 0.86 KCNH2 (0.35) DDR1USP1EGLN1
SCHEMBL20687618 0.85 RORC (0.32) DDR1USP1LMNAEGLN1SCN9A
SCHEMBL19209942 0.85 CCR4 (0.32) LRRK2DDR1USP1LMNAEGLN1
SCHEMBL20687621 0.82 DDR1 (0.34) LRRK2DDR1USP1S1PR1EGLN1
SCHEMBL17504810 0.80 DDR1 (0.36) DDR1USP1EGLN1MEN1KMT2A
SCHEMBL17504809 0.79 DDR1 (0.34) DDR1USP1EGLN1
SCHEMBL29787144 0.79 DDR1 (0.34) DDR1USP1EGLN1
SCHEMBL19209943 0.78 KCNH2 (0.36) DDR1USP1S1PR1EGLN1
SCHEMBL17504806 0.78 TRPV1 (0.37) DDR1USP1EGLN1MEN1KMT2A

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-20190031667-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-01-31 — — 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-20190031667-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 LRRK2 523/4885DDR1 4470/4885USP1 1798/4885

“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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