SCHEMBL20687612

SCHEMBL20687612

CCS(=O)(=O)c1ccc(-n2cc(C#N)cn2)nc1-n1cc2cnc(C(F)(F)F)cc2n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.37
▸ DDR1 Q08345 9/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ ELANE P08246 3/20 0.34
▸ SDHB P21912 2/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.31
▸ USP1 O94782 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31

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
SCHEMBL20687617 0.86 S1PR1 (0.35) S1PR1DDR1ELANE
SCHEMBL19209962 0.84 S1PR1 (0.34) S1PR1DDR1GRM2ELANESDHB
SCHEMBL19209967 0.83 SMN1; SMN2 (0.33) DDR1EGLN1USP1
SCHEMBL20687613 0.83 GRN (0.35) DDR1EGLN1USP1
SCHEMBL19250870 0.81 DDR1 (0.36) DDR1USP1
SCHEMBL19250869 0.81 DDR1 (0.33) DDR1SDHBUSP1
SCHEMBL19250862 0.80 DDR1 (0.33) DDR1
SCHEMBL19209943 0.80 KCNH2 (0.36) S1PR1DDR1SDHBEGLN1USP1
SCHEMBL20687621 0.78 DDR1 (0.34) S1PR1DDR1EGLN1USP1
SCHEMBL19250864 0.78 DDR1 (0.32) S1PR1DDR1EGLN1USP1

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 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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