SCHEMBL19209962

SCHEMBL19209962

CCS(=O)(=O)c1ccc(-n2cc(C#N)cn2)nc1-n1nc2cc(C(F)(F)F)ncc2c1Cl

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.34
▸ DDR1 Q08345 13/20 0.34
▸ GRM2 Q14416 1/20 0.33
▸ SDHB P21912 1/20 0.32
▸ ELANE P08246 3/20 0.31
▸ TRPV4 Q9HBA0 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
SCHEMBL20687614 0.86 DDR1 (0.34) S1PR1DDR1TRPV4
SCHEMBL20687612 0.84 S1PR1 (0.37) S1PR1DDR1GRM2SDHBELANE
SCHEMBL20687611 0.84 DDR1 (0.33) DDR1
SCHEMBL19209956 0.84 DDR1 (0.34) DDR1
SCHEMBL20687619 0.83 DDR1 (0.37) DDR1
SCHEMBL19209949 0.81 DDR1 (0.36) DDR1
SCHEMBL19250865 0.81 DDR1 (0.35) DDR1
SCHEMBL19209964 0.79 DDR1 (0.37) DDR1
SCHEMBL19209951 0.79 KCNH2 (0.37) DDR1
SCHEMBL20687615 0.78 DDR1 (0.36) S1PR1DDR1

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 5 patents. 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
US-20190031667-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-01-31 — — US disclosed
EP-3411373-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2018-12-12 — — EP disclosed
WO-2017134066-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-08-10 — — WO disclosed
WO-2017134066-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-08-10 — — 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 (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 S1PR1 2431/4885DDR1 4470/4885GRM2 389/4885

“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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