SCHEMBL21832226

SCHEMBL21832226

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.33
DDR1 Q08345 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.31
LRRK2 Q5S007 1/20 0.31
SUV39H2 Q9H5I1 2/20 0.31
SDHB P21912 1/20 0.31
MAPT P10636 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
SCHEMBL21832222 0.91 UGCG (0.31) PTGS2KCNH2
SCHEMBL21832221 0.89 PTGS1 (0.31) PTGS2KCNH2
SCHEMBL21832200 0.89 KCNH2 (0.32) KCNH2
SCHEMBL21832202 0.89 KCNH2 (0.30) KCNH2
SCHEMBL21832207 0.89 KCNH2 (0.30) KCNH2
SCHEMBL29386369 0.89 PTGS1 (0.31) PTGS2KCNH2
SCHEMBL21832232 0.89
SCHEMBL21832215 0.89
SCHEMBL21832213 0.88
SCHEMBL21832212 0.88 KCNH2 (0.31) KCNH2

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
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-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
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 PTGS2 1104/4885DDR1 3397/4885KDM4E 2523/4885
US-20200100502-A1 IMIDAZOPYRIMIDINE DERIVATIVES WITH SULFUR CONTAINING PHENYL AND PYRIDYL SUBSTITUENTS PNPO, DDT, TH PTGS2 1104/4885DDR1 3397/4885KDM4E 2523/4885

“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.