SCHEMBL21832220

SCHEMBL21832220

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
KDR P35968 1/20 0.33
ABL1 P00519 2/20 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
SCHEMBL30444692 1.00 CDK1 (0.33) CDK1CDK2KDRABL1
SCHEMBL21832221 0.90 PTGS1 (0.31)
SCHEMBL29386369 0.90 PTGS1 (0.31)
SCHEMBL21832207 0.88 KCNH2 (0.30)
SCHEMBL21832215 0.88
SCHEMBL21832226 0.87 PTGS2 (0.33)
SCHEMBL21832232 0.86
SCHEMBL21832222 0.85 UGCG (0.31)
SCHEMBL24261719 0.83
SCHEMBL21832212 0.83 KCNH2 (0.31)

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 CDK1 245/4885CDK2 190/4885KDR 1769/4885
US-20200100502-A1 IMIDAZOPYRIMIDINE DERIVATIVES WITH SULFUR CONTAINING PHENYL AND PYRIDYL SUBSTITUENTS PNPO, DDT, TH CDK1 245/4885CDK2 190/4885KDR 1769/4885

“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.