SCHEMBL29700822

SCHEMBL29700822

C=CC(=O)N1CCCc2ccc(-c3c([Si](C)(C)C)[nH]c4nccc(Cl)c34)cc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.48
▸ FGFR4 P22455 3/20 0.42
▸ JAK3 P52333 2/20 0.41
▸ CCNK O75909 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35
▸ CREBBP Q92793 3/20 0.35
▸ ALK Q9UM73 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ TEC P42680 1/20 0.34
▸ BLK P51451 1/20 0.34
▸ BMX P51813 1/20 0.34
▸ BRD4 O60885 1/20 0.33

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
SCHEMBL21747991 1.00 BTK (0.48) BTKFGFR4JAK3CCNKCDK12
SCHEMBL21747910 0.95 BTK (0.47) BTKFGFR4JAK3CCNKCDK12
SCHEMBL21747950 0.91 BTK (0.38) BTKFGFR4CREBBPALKCYP11B2
SCHEMBL21761347 0.90 BTK (0.53) BTKFGFR4JAK3CCNKCDK12
SCHEMBL29700770 0.88 BTK (0.47) BTKFGFR4JAK3CCNKCDK12
SCHEMBL21760365 0.88 BTK (0.47) BTKFGFR4JAK3CCNKCDK12
SCHEMBL21747965 0.86 ALK (0.37) BTKFGFR4JAK3ALKCYP11B2
SCHEMBL21761353 0.85 BTK (0.46) BTKFGFR4JAK3CCNKCDK12
SCHEMBL21753139 0.85 BRD4 (0.38) BTKCREBBPALKCYP11B2BRD4
SCHEMBL29700787 0.85 BRD4 (0.38) BTKCREBBPALKCYP11B2BRD4

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 BTK 148/4885FGFR4 18/4885JAK3 188/4885

“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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