SCHEMBL19100726

SCHEMBL19100726

CNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 9/20 0.43
KDR P35968 9/20 0.43
DGAT1 O75907 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 2/20 0.34
ALPL P05186 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ROCK2 O75116 1/20 0.33
CXCR2 P25025 1/20 0.33

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
SCHEMBL21199139 0.86 DGAT1 (0.46) PDGFRBKDRDGAT1GSK3AGSK3B
SCHEMBL3513452 0.83 GSK3A (0.43) PDGFRBKDRDGAT1GSK3AGSK3B
SCHEMBL19797952 0.81 GSK3A (0.41) PDGFRBKDRDGAT1GSK3AGSK3B
SCHEMBL2960519 0.78 PDGFRB (0.39) PDGFRBKDRDGAT1GSK3AGSK3B
SCHEMBL19100568 0.77 PDGFRB (0.43) PDGFRBKDRDGAT1GSK3AGSK3B
SCHEMBL31081857 0.77 PDGFRB (0.39) PDGFRBKDRDGAT1GSK3AGSK3B
SCHEMBL2067946 0.77 PDGFRB (0.39) PDGFRBKDRDGAT1GSK3AGSK3B
SCHEMBL2068402 0.77 PDGFRB (0.40) PDGFRBKDRDGAT1GSK3AGSK3B
SCHEMBL2067063 0.74 PDGFRB (0.50) PDGFRBKDRDGAT1GSK3AGSK3B
SCHEMBL29857682 0.74 PDGFRB (0.50) PDGFRBKDRDGAT1GSK3AGSK3B

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-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 EP disclosed
US-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase CS PHARMATECH LIMITED (KY) 2019-10-08 US disclosed
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE HIGH GREAT INVESTMENT LIMITED (HK) 2019-01-24 US disclosed
EP-3399968-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS Pharmatech Limited (KY) 2018-11-14 EP disclosed
WO-2017120429-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS Pharmasciences, Inc. (US) 2017-07-13 WO 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-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase EGFR, ERBB3, ERBB2 PDGFRB 274/4885KDR 93/4885DGAT1 3182/4885
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 PDGFRB 274/4885KDR 93/4885DGAT1 3182/4885

“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.