SCHEMBL21747833

SCHEMBL21747833

C=CC(=O)N1CCc2ccc(-c3c(I)[nH]c4nccc(OCC)c34)cc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 4/20 0.51
▸ FGFR4 P22455 1/20 0.45
▸ BTK Q06187 9/20 0.45
▸ EGFR P00533 3/20 0.39
▸ ITK Q08881 1/20 0.39
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ CCNK O75909 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ TEC P42680 1/20 0.36
▸ BLK P51451 1/20 0.36
▸ BMX P51813 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ PIK3CD O00329 1/20 0.36

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
SCHEMBL21761227 0.91 JAK3 (0.53) JAK3FGFR4BTKEGFRITK
SCHEMBL21747908 0.89 JAK3 (0.50) JAK3FGFR4BTKEGFRITK
SCHEMBL21747790 0.86 ERBB2 (0.53) JAK3BTKEGFRMTORBMX
SCHEMBL29700750 0.86 ERBB2 (0.53) JAK3BTKEGFRMTORBMX
SCHEMBL30090325 0.86 JAK3 (0.46) JAK3FGFR4BTKEGFRITK
SCHEMBL21747932 0.86 JAK3 (0.46) JAK3FGFR4BTKEGFRITK
SCHEMBL21747787 0.85 BTK (0.47) JAK3FGFR4BTKEGFRITK
SCHEMBL21747924 0.85 JAK3 (0.45) JAK3FGFR4BTKEGFRROCK2
SCHEMBL29700801 0.85 JAK3 (0.45) JAK3FGFR4BTKEGFRROCK2
SCHEMBL21753026 0.84 JAK3 (0.34) JAK3ERBB2

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 4 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
EP-3613738-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER Lead Discovery Center GmbH (DE) 2020-02-26 — — EP disclosed
EP-3613738-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER Lead Discovery Center GmbH (DE) 2020-02-26 — — 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 JAK3 188/4885FGFR4 18/4885BTK 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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