SCHEMBL15444792

SCHEMBL15444792

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(O)c(Nc2ccc3[nH]cnc3c2P(C)(C)=O)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.65
▸ ALK Q9UM73 17/20 0.63
▸ INSR P06213 15/20 0.63
▸ IGF1R P08069 15/20 0.63
▸ CHEK1 O14757 1/20 0.62
▸ AURKA O14965 1/20 0.62
▸ NUAK1 O60285 1/20 0.62
▸ JAK2 O60674 1/20 0.62
▸ STK10 O94804 1/20 0.62
▸ PRKD3 O94806 1/20 0.62
▸ SLC34A2 O95436 1/20 0.62
▸ CHEK2 O96017 1/20 0.62
▸ ABL1 P00519 1/20 0.62
▸ CD74 P04233 1/20 0.62
▸ ERBB2 P04626 1/20 0.62
▸ LCK P06239 1/20 0.62
▸ FYN P06241 1/20 0.62
▸ FES P07332 1/20 0.62
▸ CSF1R P07333 1/20 0.62
▸ YES1 P07947 1/20 0.62

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
SCHEMBL22028458 0.92 EGFR (0.76) EGFRALKINSRIGF1RCHEK1
SCHEMBL22028077 0.81 EGFR (0.76) EGFRALKINSRIGF1RCHEK1
SCHEMBL22025666 0.81 EGFR (0.83) EGFRALKINSRIGF1RCHEK1
SCHEMBL25144549 0.81 EGFR (0.69) EGFRALKINSRIGF1RCHEK1
SCHEMBL22027940 0.81 EGFR (0.81) EGFRALKINSRIGF1R
SCHEMBL22025677 0.79 EGFR (1.00) EGFRALKINSRIGF1RCHEK1
SCHEMBL19313026 0.79 ALK (0.83) EGFRALKINSRIGF1RCHEK1
SCHEMBL11916410 0.79 INSR (0.83) EGFRALKINSRIGF1RCHEK1
SCHEMBL22025642 0.79 EGFR (0.74) EGFRALKINSRIGF1RCHEK1
SCHEMBL11916565 0.78 ALK (0.83) EGFRALKINSRIGF1RCHEK1

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-20140024620-A1 Methods for Inhibiting Cell Proliferation in EGFR-Driven Cancers ARIAD PHARMACEUTICALS, INC. (US) 2014-01-23 — — 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-20140024620-A1 Methods for Inhibiting Cell Proliferation in EGFR-Driven Cancers EGFR, ERBB2, MKI67 EGFR 1/4885ALK 28/4885INSR 816/4885

“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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