SCHEMBL29700820

SCHEMBL29700820

C=CC(=O)N1CCc2ccc(-c3c(-c4ccc(N5CCN(C)CC5)cc4)[nH]c4nccc(Cl)c34)cc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 13/20 0.49
▸ ALK Q9UM73 1/20 0.49
▸ BTK Q06187 3/20 0.47
▸ MTOR P42345 1/20 0.47
▸ BMX P51813 1/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ EGFR P00533 4/20 0.46
▸ FGFR4 P22455 1/20 0.43

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
SCHEMBL21747846 1.00 ERBB2 (0.49) ERBB2ALKBTKMTORBMX
SCHEMBL29700675 0.95 ERBB2 (0.48) ERBB2ALKBTKMTORBMX
SCHEMBL21747980 0.95 ERBB2 (0.48) ERBB2ALKBTKMTORBMX
SCHEMBL21747884 0.93 ERBB2 (0.42) ERBB2ALKBTKMTORBMX
SCHEMBL30090112 0.93 ERBB2 (0.42) ERBB2ALKBTKMTORBMX
SCHEMBL21747993 0.92 ERBB2 (0.45) ERBB2ALKBTKMTORBMX
SCHEMBL29700764 0.92 ERBB2 (0.45) ERBB2ALKBTKMTORBMX
SCHEMBL21747939 0.92 ERBB2 (0.45) ERBB2ALKBTKMTORBMX
SCHEMBL29700825 0.92 ERBB2 (0.45) ERBB2ALKBTKMTORBMX
SCHEMBL21747886 0.91 FGFR4 (0.42) ERBB2ALKBTKMTORBMX

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 2 patents. 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
EP-3807274-B1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER LEAD DISCOVERY CENTER GMBH (DE) 2022-07-27 — — EP 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 ERBB2 1/4885ALK 41/4885BTK 148/4885

“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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