SCHEMBL23302834

SCHEMBL23302834

COc1cc(N2CC3(CN(C)C3)C2)c(-c2cnn(C)c2)cc1Nc1ncc(Cl)c(Nc2ccccc2N(C)S(C)(=O)=O)n1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.63
▸ BTK Q06187 1/20 0.58
▸ MET P08581 1/20 0.57
▸ ALK Q9UM73 7/20 0.50
▸ INSR P06213 2/20 0.50
▸ PTK2 Q05397 2/20 0.50

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
SCHEMBL29758553 0.94 EGFR (0.66) EGFRBTKMETALKINSR
SCHEMBL23304000 0.94 EGFR (0.66) EGFRBTKMETALKINSR
SCHEMBL24581821 0.91 EGFR (0.73) EGFRBTKMETALKINSR
SCHEMBL23302543 0.89 EGFR (0.79) EGFRBTKALK
SCHEMBL23302527 0.89 EGFR (0.80) EGFRBTKMETALKINSR
SCHEMBL24581823 0.89 EGFR (0.68) EGFRBTKMETALKINSR
SCHEMBL23302538 0.84 EGFR (0.72) EGFRBTKMETALKINSR
SCHEMBL23302583 0.83 EGFR (0.82) EGFRBTKMETALK
SCHEMBL29758554 0.83 EGFR (0.82) EGFRBTKMETALK
SCHEMBL23303085 0.82 EGFR (0.67) EGFRBTKMETALKINSR

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
WO-2021085888-A1 NOVEL HETEROCYCLIC-SUBSTITUTED PYRIMIDINE DERIVATIVE EXHIBITING CANCER CELL GROWTH INHIBITORY EFFECT, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 주식회사 온코빅스 2021-05-06 — — WO claimed
US-20220204492-A1 NOVEL HETEROCYCLIC-SUBSTITUTED PYRIMIDINE DERIVATIVE EXHIBITING CANCER CELL GROWTH INHIBITORY EFFECT, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME ONCOBIX CO., LTD. (KR) 2022-06-30 — — US disclosed
WO-2021085888-A1 NOVEL HETEROCYCLIC-SUBSTITUTED PYRIMIDINE DERIVATIVE EXHIBITING CANCER CELL GROWTH INHIBITORY EFFECT, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 주식회사 온코빅스 2021-05-06 — — 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 (1 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-20220204492-A1 NOVEL HETEROCYCLIC-SUBSTITUTED PYRIMIDINE DERIVATIVE EXHIBITING CANCER CELL GROWTH INHIBITORY EFFECT, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME EGFR, ALK, FGFR1 EGFR 1/4885BTK 226/4885MET 49/4885

“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.

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