SCHEMBL19366992

SCHEMBL19366992

CCS(=O)(=O)c1cc(-c2ccnc(Cl)n2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.35
▸ DDR1 Q08345 2/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GRIN2B Q13224 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PTGS2 P35354 5/20 0.32
▸ PTGS1 P23219 2/20 0.31
▸ USP1 O94782 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ RORC P51449 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL19366997 0.90 KCNH2 (0.36) KCNH2DDR1GRIN2BCNR2NPC1
SCHEMBL19366979 0.90 DDR1 (0.37) KCNH2DDR1CNR2NPC1RAB9A
SCHEMBL19366946 0.89 PTGS2 (0.41) KCNH2DDR1CNR2NPC1RAB9A
SCHEMBL19366948 0.88 GRIN2B (0.37) KCNH2DDR1GRIN2BCNR2NPC1
SCHEMBL19366994 0.87 IRAK4 (0.39) KCNH2CNR2NPC1RAB9APTGS2
SCHEMBL19366900 0.87 KCNH2 (0.34) KCNH2DDR1CNR2PTGS2PTGS1
SCHEMBL19366909 0.87 PTGS2 (0.36) KCNH2DDR1GRIN2BCNR2NPC1
SCHEMBL19366908 0.87 KCNH2 (0.36) KCNH2DDR1CNR2PTGS2PTGS1
SCHEMBL19366966 0.87 PTGS2 (0.37) KCNH2DDR1GRIN2BNPC1RAB9A
SCHEMBL19366933 0.87 GRIN2B (0.40) KCNH2DDR1GRIN2BCNR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809587-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2017-11-07 — — US disclosed
US-9809587-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2017-11-07 — — US disclosed
US-20170267672-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-09-21 — — US disclosed
US-20170267672-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-09-21 — — 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-20170267672-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 KCNH2 1460/4885DDR1 4561/4885GABRA1 658/4885

“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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