SCHEMBL23302543

SCHEMBL23302543

COc1cc(N2CC3(CN(C)C3)C2)c(-c2cnn(C)c2)cc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.79
▸ BTK Q06187 1/20 0.61
▸ LRRK2 Q5S007 1/20 0.55
▸ ROS1 P08922 2/20 0.54
▸ ALK Q9UM73 2/20 0.54

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
SCHEMBL29758554 0.94 EGFR (0.82) EGFRBTKLRRK2ROS1ALK
SCHEMBL23302583 0.94 EGFR (0.82) EGFRBTKLRRK2ROS1ALK
SCHEMBL23302517 0.91 EGFR (0.87) EGFRBTKLRRK2ROS1ALK
SCHEMBL23302834 0.89 EGFR (0.63) EGFRBTKALK
SCHEMBL23303154 0.88 EGFR (0.84) EGFRBTKLRRK2ROS1ALK
SCHEMBL23304015 0.88 EGFR (1.00) EGFRBTKLRRK2
SCHEMBL23304000 0.83 EGFR (0.66) EGFRBTKLRRK2ALK
SCHEMBL29758553 0.83 EGFR (0.66) EGFRBTKLRRK2ALK
SCHEMBL24581821 0.80 EGFR (0.73) EGFRBTKALK
SCHEMBL25001489 0.80 EGFR (0.84) EGFRBTKLRRK2ALK

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 226/4885LRRK2 1385/4885

“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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