SCHEMBL23378017

SCHEMBL23378017

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2N(C)S(=O)(=O)N(C)C)n1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.88
▸ MET P08581 3/20 0.88
▸ ALK Q9UM73 16/20 0.80
▸ INSR P06213 14/20 0.80
▸ IGF1R P08069 14/20 0.80
▸ CHEK1 O14757 2/20 0.73
▸ AURKA O14965 2/20 0.73
▸ NUAK1 O60285 2/20 0.73
▸ JAK2 O60674 2/20 0.73
▸ STK10 O94804 2/20 0.73
▸ PRKD3 O94806 2/20 0.73
▸ CHEK2 O96017 2/20 0.73
▸ ABL1 P00519 2/20 0.73
▸ ERBB2 P04626 2/20 0.73
▸ LCK P06239 2/20 0.73
▸ FYN P06241 2/20 0.73
▸ FES P07332 2/20 0.73
▸ CSF1R P07333 2/20 0.73
▸ YES1 P07947 2/20 0.73
▸ LYN P07948 2/20 0.73

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
SCHEMBL21432183 0.94 EGFR (1.00) EGFRMETALKINSRIGF1R
SCHEMBL22518887 0.92 EGFR (0.87) EGFRMETALKINSRIGF1R
SCHEMBL22518896 0.92 EGFR (0.87) EGFRMETALKINSRIGF1R
SCHEMBL22518899 0.92 EGFR (0.86) EGFRMETALKINSRIGF1R
SCHEMBL22518905 0.91 EGFR (0.85) EGFRMETALKINSRIGF1R
SCHEMBL21432250 0.91 EGFR (0.94) EGFRMETALKINSRIGF1R
SCHEMBL30161409 0.90 EGFR (0.91) EGFRMETALKINSRIGF1R
SCHEMBL23533703 0.90 EGFR (0.91) EGFRMETALKINSRIGF1R
SCHEMBL29045206 0.89 EGFR (0.82) EGFRMETALKINSRIGF1R
SCHEMBL30161151 0.89 EGFR (0.88) EGFRMETALKINSRIGF1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11248003-B2 Pyrimidine derivative having effect of inhibiting cancer cell growth and pharmaceutical composition containing same ONCOBIX CO., LTD. (KR) 2022-02-15 — — US disclosed
US-20210147439-A1 NOVEL PYRIMIDINE DERIVATIVE HAVING EFFECT OF INHIBITING CANCER CELL GROWTH AND PHARMACEUTICAL COMPOSITION CONTAINING SAME ONCOBIX CO., LTD. (KR) 2021-05-20 — — 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-11248003-B2 Pyrimidine derivative having effect of inhibiting cancer cell growth and pharmaceutical composition containing same MET, EGFR, TYMS EGFR 2/4885MET 1/4885ALK 94/4885
US-20210147439-A1 NOVEL PYRIMIDINE DERIVATIVE HAVING EFFECT OF INHIBITING CANCER CELL GROWTH AND PHARMACEUTICAL COMPOSITION CONTAINING SAME MET, EGFR, TYMS EGFR 2/4885MET 1/4885ALK 67/4885

“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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