SCHEMBL21980690

SCHEMBL21980690

COc1cc(N(C)CCN(C)C)c(C=CC(N)=O)cc1Nc1nccc(-n2ccc3cc(CO)ccc32)n1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.48

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
SCHEMBL21980689 0.91 EGFR (0.48) EGFR
SCHEMBL21980685 0.89 EGFR (0.47) EGFR
SCHEMBL18586072 0.86 EGFR (0.48) EGFR
SCHEMBL30930110 0.86 EGFR (0.48) EGFR
SCHEMBL30930109 0.84 EGFR (0.69) EGFR
SCHEMBL18585867 0.84 EGFR (0.69) EGFR
SCHEMBL21980692 0.81 EGFR (0.46) EGFR
SCHEMBL21980684 0.80 EGFR (0.47) EGFR
SCHEMBL21980695 0.80 EGFR (0.47) EGFR
SCHEMBL18610441 0.79 EGFR (0.68) EGFR

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
US-11267802-B2 2,4-bis(nitrogen-containing group)-substituted pyrimidine compound, preparation method and use thereof BEBETTER MED INC. (CN) 2022-03-08 US disclosed
US-20200331891-A9 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF GUANGZHOU BEBETTER MEDICINE TECHNOLOGY CO., LTD. (CN) 2020-10-22 US disclosed
US-20200165227-A1 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF GUANGZHOU BEBETTER MEDICINE TECHNOLOGY CO., LTD. (CN) 2020-05-28 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 (3 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-20200331891-A9 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, KRAS EGFR 1/4885
US-20200165227-A1 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, KRAS EGFR 1/4885
US-11267802-B2 2,4-bis(nitrogen-containing group)-substituted pyrimidine compound, preparation method and use thereof EGFR, ERBB2, KRAS EGFR 1/4885

“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.