SCHEMBL21832222

SCHEMBL21832222

CCS(=O)(=O)c1cc(OCC(F)(F)F)cnc1-c1cn2cnc(C(F)(F)F)cc2n1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 2/20 0.31
RIPK2 O43353 1/20 0.31
KCNH2 Q12809 1/20 0.31
CNR2 P34972 1/20 0.30
PTGS2 P35354 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
SCHEMBL21832226 0.91 PTGS2 (0.33) KCNH2PTGS2
SCHEMBL21832202 0.90 KCNH2 (0.30) KCNH2
SCHEMBL21832200 0.90 KCNH2 (0.32) KCNH2
SCHEMBL21832215 0.90
SCHEMBL21832232 0.90
SCHEMBL21832212 0.89 KCNH2 (0.31) KCNH2
SCHEMBL21832213 0.89
SCHEMBL21832221 0.89 PTGS1 (0.31) KCNH2PTGS2
SCHEMBL21832207 0.89 KCNH2 (0.30) KCNH2
SCHEMBL29386369 0.89 PTGS1 (0.31) KCNH2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3621965-B1 IMIDAZOPYRIMIDINE DERIVATIVES WITH SULFUR CONTAINING PHENYL AND PYRIDYL SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-02-23 EP disclosed
US-10945435-B2 Imidazopyrimidine derivatives with sulfur containing phenyl and pyridyl substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-03-16 US disclosed
US-20200100502-A1 IMIDAZOPYRIMIDINE DERIVATIVES WITH SULFUR CONTAINING PHENYL AND PYRIDYL SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-04-02 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-10945435-B2 Imidazopyrimidine derivatives with sulfur containing phenyl and pyridyl substituents PNPO, DDT, TH UGCG 4126/4885RIPK2 3699/4885KCNH2 3019/4885
US-20200100502-A1 IMIDAZOPYRIMIDINE DERIVATIVES WITH SULFUR CONTAINING PHENYL AND PYRIDYL SUBSTITUENTS PNPO, DDT, TH UGCG 4126/4885RIPK2 3699/4885KCNH2 3019/4885

“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.