SCHEMBL17530373

SCHEMBL17530373

COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(C(F)(F)F)c(Nc2cccc(NC(C)=O)c2)n1

nearest known ligand 0.86

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.86
▸ ALK Q9UM73 10/20 0.86
▸ GAK O14976 1/20 0.86
▸ FES P07332 1/20 0.86
▸ FER P16591 1/20 0.86
▸ ERBB3 P21860 1/20 0.86
▸ TEC P42680 1/20 0.86
▸ CLK1 P49759 1/20 0.86
▸ JAK3 P52333 1/20 0.86
▸ PTK2 Q05397 1/20 0.86
▸ BTK Q06187 1/20 0.86
▸ TNK1 Q13470 1/20 0.86

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
SCHEMBL29229023 0.97 ALK (0.81) EGFRALKGAKFESFER
SCHEMBL30221516 0.97 ALK (0.81) EGFRALKGAKFESFER
Rociletinib SCHEMBL4177736 0.93 EGFR (1.00) EGFRALKGAKFESFER
Rociletinib SCHEMBL29448192 0.93 EGFR (1.00) EGFRALKGAKFESFER
Rociletinib SCHEMBL29350136 0.93 EGFR (1.00) EGFRALKGAKFESFER
SCHEMBL17531020 0.92 ALK (0.83) EGFRALKGAKFESFER
Rociletinib SCHEMBL30101824 0.92 EGFR (0.99) EGFRALKGAKFESFER
SCHEMBL17531019 0.92 EGFR (0.81) EGFRALKGAKFESFER
SCHEMBL24413852 0.91 EGFR (0.86) EGFRALKGAKFESFER
SCHEMBL4166347 0.90 EGFR (1.00) EGFRALKGAKFESFER

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-10881664-B2 Methods for treating EGFR mutant cancers NOVARTIS AG (CH) 2021-01-05 — — US disclosed
US-10005738-B2 Salts of an epidermal growth factor receptor kinase inhibitor CELGENE CAR LLC (BM) 2018-06-26 — — US disclosed
WO-2016029002-A2 GROWTH FACTOR RECEPTOR INHIBITORS CLOVIS ONCOLOGY, INC. (US) 2016-02-25 — — WO 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-10005738-B2 Salts of an epidermal growth factor receptor kinase inhibitor EGFR, ERBB2, ERBB4 EGFR 1/4885ALK 59/4885GAK 407/4885
US-10881664-B2 Methods for treating EGFR mutant cancers EGFR, ERBB2, ERBB3 EGFR 1/4885ALK 15/4885GAK 580/4885

“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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