SCHEMBL29700750

SCHEMBL29700750

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 13/20 0.53
▸ EGFR P00533 7/20 0.48
▸ JAK3 P52333 2/20 0.46
▸ MTOR P42345 1/20 0.45
▸ BMX P51813 1/20 0.45
▸ BTK Q06187 1/20 0.45

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
SCHEMBL21747790 1.00 ERBB2 (0.53) ERBB2EGFRJAK3MTORBMX
Trifluoroacetic Acid SCHEMBL21747824 0.95 ERBB2 (0.49) ERBB2EGFRJAK3MTORBMX
SCHEMBL21747839 0.92 ERBB2 (0.52) ERBB2EGFRJAK3MTORBMX
SCHEMBL29700821 0.92 ERBB2 (0.52) ERBB2EGFRJAK3MTORBMX
SCHEMBL21747882 0.91 JAK3 (0.45) ERBB2EGFRJAK3MTORBMX
SCHEMBL30090123 0.90 ERBB2 (0.53) ERBB2EGFRJAK3MTORBMX
SCHEMBL21747792 0.90 ERBB2 (0.53) ERBB2EGFRJAK3MTORBMX
SCHEMBL29700801 0.90 JAK3 (0.45) ERBB2EGFRJAK3BTK
SCHEMBL21747924 0.90 JAK3 (0.45) ERBB2EGFRJAK3BTK
SCHEMBL21747846 0.88 ERBB2 (0.49) ERBB2EGFRJAK3MTORBMX

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
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 claimed
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 1/4885EGFR 4/4885JAK3 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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