SCHEMBL18926510

SCHEMBL18926510

CCS(=O)(=O)c1cc(-c2ccc(CC#N)cc2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ RORC P51449 7/20 0.33
▸ S1PR1 P21453 2/20 0.33
▸ PDPK1 O15530 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ LGMN Q99538 1/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ MINK1 Q8N4C8 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ SERPINA2 P20848 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ MTOR P42345 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
SCHEMBL18926508 0.91 TGFBR1 (0.35) USP1KCNH2S1PR1PTGS2NR1H2
SCHEMBL18926512 0.90 S1PR1 (0.42) KCNH2S1PR1PRKDC
SCHEMBL20482178 0.89 S1PR1 (0.34) USP1KCNH2RORCS1PR1
SCHEMBL29482594 0.89 S1PR1 (0.34) USP1KCNH2RORCS1PR1
SCHEMBL17432172 0.89 KCNH2 (0.45) KCNH2RORCPTGS2NR1H2PIK3CA
SCHEMBL18926499 0.88 KCNH2 (0.38) KCNH2RORCPTGS2NR1H2PIK3CA
SCHEMBL17432135 0.88 RORC (0.39) KCNH2RORCPTGS2NR1H2PIK3CA
SCHEMBL19366898 0.88 KCNH2 (0.43) KCNH2RORCPTGS2PIK3CAMAP4K4
SCHEMBL19366953 0.87 S1PR1 (0.42) KCNH2S1PR1PTGS2LGMNCA12
SCHEMBL17432178 0.87 RORC (0.36) USP1KCNH2RORCS1PR1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170354151-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-14 — — US disclosed
US-20170354151-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-14 — — US disclosed
US-9775353-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2017-10-03 — — US disclosed
US-9775353-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2017-10-03 — — US disclosed
US-20170156329-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-06-08 — — US disclosed
US-20170156329-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-06-08 — — 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 (2 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-20170156329-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 USP1 1952/4885KCNH2 1460/4885RORC 2062/4885
US-20170354151-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 USP1 1748/4885KCNH2 1902/4885RORC 2103/4885

“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.

Send feedback