SCHEMBL22464679

SCHEMBL22464679

COC1CCN(c2nccc(Nc3cc4c(cn3)c(N3CCC(C(=O)O)C3)nn4C(C)C)n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.72
▸ CDK2 P24941 5/20 0.69
▸ KDR P35968 4/20 0.69
▸ JAK2 O60674 2/20 0.57
▸ AURKB Q96GD4 2/20 0.57

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
SCHEMBL22489335 0.94 EGFR (0.72) EGFRCDK2KDRJAK2AURKB
SCHEMBL22489260 0.88 EGFR (0.64) EGFRCDK2KDRJAK2AURKB
Hydrochloric Acid SCHEMBL22464989 0.88 EGFR (0.63) EGFRCDK2KDRJAK2AURKB
SCHEMBL16339559 0.87 EGFR (0.78) EGFRCDK2KDRJAK2AURKB
SCHEMBL24528994 0.86 EGFR (0.86) EGFRCDK2KDRJAK2AURKB
SCHEMBL29722788 0.86 EGFR (0.86) EGFRCDK2KDRJAK2AURKB
SCHEMBL29188609 0.85 EGFR (0.75) EGFRCDK2KDRJAK2AURKB
SCHEMBL30459583 0.85 EGFR (0.75) EGFRCDK2KDRJAK2AURKB
SCHEMBL20078173 0.85 EGFR (0.75) EGFRCDK2KDRJAK2AURKB
SCHEMBL24528923 0.84 EGFR (0.86) EGFRCDK2KDRJAK2AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200308171-A1 BIFUNCTIONAL INHIBITORS WITH EGFR HAVING A E3 UBIQUITIN LIGASE MOIETY HOFFMANN-LA ROCHE INC. (US) 2020-10-01 — — 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 (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-20200308171-A1 BIFUNCTIONAL INHIBITORS WITH EGFR HAVING A E3 UBIQUITIN LIGASE MOIETY EGFR, ERBB2, MDM2 EGFR 1/4885CDK2 397/4885KDR 227/4885

“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.

Send feedback