SCHEMBL30090246

SCHEMBL30090246

C=CC(=O)N1CCc2ccc(-c3c(-c4cccc(CN5CCN(C)CC5)c4)[nH]c4nccc(Cl)c34)cc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ FGFR4 P22455 1/20 0.40
▸ ERBB2 P04626 10/20 0.40
▸ ALK Q9UM73 1/20 0.39
▸ MELK Q14680 1/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ EGFR P00533 2/20 0.38

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
SCHEMBL21747865 1.00 BTK (0.40) BTKJAK3FGFR4ERBB2ALK
SCHEMBL30090107 0.96 BTK (0.41) BTKERBB2ALKMELKPARP1
SCHEMBL21747847 0.96 BTK (0.41) BTKERBB2ALKMELKPARP1
SCHEMBL21747876 0.93 BTK (0.42) BTKJAK3FGFR4ERBB2ALK
SCHEMBL30090217 0.93 BTK (0.42) BTKJAK3FGFR4ERBB2ALK
SCHEMBL21747955 0.85 BTK (0.43) BTKJAK3FGFR4ERBB2EGFR
SCHEMBL30090187 0.85 BTK (0.43) BTKJAK3FGFR4ERBB2EGFR
SCHEMBL21747886 0.84 FGFR4 (0.42) BTKJAK3FGFR4ERBB2ALK
SCHEMBL30090147 0.84 FGFR4 (0.42) BTKJAK3FGFR4ERBB2ALK
SCHEMBL21747846 0.84 ERBB2 (0.49) BTKJAK3FGFR4ERBB2ALK

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-20220370440-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER LEAD DISCOVERY CENTER GMBH (DE) 2022-11-24 — — 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-20220370440-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER ERBB2, ERBB4, ERBB3 BTK 148/4885JAK3 188/4885FGFR4 18/4885

“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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