SCHEMBL29700778

SCHEMBL29700778

CCOc1ccnc2[nH]c([Si](C)(C)C)c(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)c12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ JAK3 P52333 3/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ HTR2A P28223 3/20 0.36
▸ HTR2C P28335 3/20 0.36
▸ TBK1 Q9UHD2 3/20 0.35
▸ ALK Q9UM73 1/20 0.34
▸ CDK9 P50750 2/20 0.34
▸ ROCK1 Q13464 2/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ BUB1 O43683 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.32

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
SCHEMBL21753142 1.00 CHRM4 (0.37) CHRM4DRD2HTR7JAK3JAK2
SCHEMBL21747867 0.89 JAK3 (0.40) JAK3HTR2AHTR2CROCK1ROCK2
SCHEMBL21753141 0.87 CHRM4 (0.37) CHRM4DRD2HTR7HTR2AHTR2C
SCHEMBL29700791 0.87 CHRM4 (0.37) CHRM4DRD2HTR7HTR2AHTR2C
SCHEMBL21747908 0.86 JAK3 (0.50) JAK3HTR2AHTR2CROCK1ROCK2
SCHEMBL21753139 0.83 BRD4 (0.38) CHRM4DRD2HTR7TBK1ALK
SCHEMBL29700787 0.83 BRD4 (0.38) CHRM4DRD2HTR7TBK1ALK
SCHEMBL21761227 0.76 JAK3 (0.53) JAK3HTR2AHTR2CROCK1ROCK2
SCHEMBL21747833 0.75 JAK3 (0.51) JAK3HTR2AHTR2CROCK1ROCK2
SCHEMBL21747965 0.75 ALK (0.37) JAK3HTR2AHTR2CALKHTR2B

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 CHRM4 3934/4885DRD2 4135/4885HTR7 2937/4885

“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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