SCHEMBL19209967

SCHEMBL19209967

CCS(=O)(=O)c1ccc(-n2cncn2)nc1-n1cc2cnc(C(F)(F)F)cc2n1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ DDR1 Q08345 5/20 0.32
▸ USP1 O94782 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31
▸ MAPT P10636 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
SCHEMBL19250868 0.86 HSD17B10 (0.33) SMN1; SMN2ALDH1A1HPGDHSD17B10GLA
SCHEMBL19250870 0.85 DDR1 (0.36) DDR1USP1
SCHEMBL20687613 0.85 GRN (0.35) SMN1; SMN2ALDH1A1HPGDKDM4EDDR1
SCHEMBL19250869 0.85 DDR1 (0.33) DDR1USP1
SCHEMBL19250862 0.84 DDR1 (0.33) DDR1
SCHEMBL20687617 0.83 S1PR1 (0.35) DDR1
SCHEMBL20687612 0.83 S1PR1 (0.37) DDR1USP1EGLN1
SCHEMBL19209946 0.83 PIK3CA (0.33) SMN1; SMN2ALDH1A1HPGDHSD17B10GLA
SCHEMBL19209956 0.82 DDR1 (0.34) SMN1; SMN2ALDH1A1HPGDHSD17B10GLA
SCHEMBL19209943 0.82 KCNH2 (0.36) DDR1USP1PIK3CAEGLN1

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
US-20160102146-A1 ANTI-LGR5 ANTIBODIES AND IMMUNOCONJUGATES GENENTECH, INC. (US) 2016-04-14 — — 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-20160102146-A1 ANTI-LGR5 ANTIBODIES AND IMMUNOCONJUGATES EPCAM, CD44, CD63 SMN1; SMN2 4696/4885ALDH1A1 621/4885HPGD 3580/4885
US-20190031667-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 SMN1; SMN2 309/4885ALDH1A1 376/4885HPGD 1107/4885

“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