SCHEMBL23450989

SCHEMBL23450989

C=CC(=O)Nc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cc1CCCCN1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.60
▸ ERBB2 P04626 7/20 0.60
▸ ERBB4 Q15303 3/20 0.59
▸ SRC P12931 3/20 0.59
▸ AURKB Q96GD4 3/20 0.59
▸ KIT P10721 2/20 0.59
▸ ERBB3 P21860 2/20 0.59
▸ JAK3 P52333 2/20 0.59
▸ LCK P06239 2/20 0.59
▸ FYN P06241 2/20 0.59
▸ RET P07949 2/20 0.59
▸ MET P08581 2/20 0.59
▸ PDGFRA P16234 2/20 0.59
▸ LTK P29376 2/20 0.59
▸ KDR P35968 2/20 0.59
▸ MAP2K2 P36507 2/20 0.59
▸ MAP2K1 Q02750 2/20 0.59
▸ BTK Q06187 2/20 0.59
▸ TYRO3 Q06418 2/20 0.59
▸ MAP4K5 Q9Y4K4 2/20 0.59

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
SCHEMBL7236143 0.89 EGFR (0.75) EGFRERBB2ERBB4SRCAURKB
SCHEMBL23450870 0.87 EGFR (0.70) EGFRERBB2ERBB4SRCAURKB
SCHEMBL7237234 0.81 EGFR (0.72) EGFRERBB2ERBB4SRCAURKB
SCHEMBL23450792 0.80 EGFR (0.69) EGFRERBB2ERBB4SRCAURKB
SCHEMBL23450802 0.80 EGFR (0.65) EGFRERBB2ERBB4SRCAURKB
SCHEMBL23451101 0.80 EGFR (0.73) EGFRERBB2ERBB4SRCAURKB
SCHEMBL8525840 0.80 EGFR (0.64) EGFRERBB2ERBB4SRCAURKB
SCHEMBL24751920 0.79 EGFR (0.65) EGFRERBB2ERBB4SRCAURKB
SCHEMBL7234306 0.78 EGFR (0.58) EGFRERBB2ERBB4SRCAURKB
SCHEMBL23450986 0.78 SRC (0.61) EGFRERBB2ERBB4SRCAURKB

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-20210163447-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE BLACK DIAMOND THERAPEUTICS, INC. 2021-06-03 — — 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-20210163447-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE ERBB2, ERBB3, EGFR EGFR 3/4885ERBB2 1/4885ERBB4 4/4885

“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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