SCHEMBL20744472

SCHEMBL20744472

CC(C)(C)[Si](O[C@H]1CCCNC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.42
▸ CHRNA4 P43681 3/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ IKBKB O14920 1/20 0.38
▸ CHUK O15111 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ BACE1 P56817 1/20 0.37
▸ ROCK1 Q13464 2/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ KDM1A O60341 1/20 0.33
▸ MAOB P27338 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
SCHEMBL18700764 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL12362827 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL741436 0.91 HRH1 (0.40) CHRNB2CHRNA4CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL22070442 0.91 HRH1 (0.40) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL12362826 0.91 HRH1 (0.40) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL4719460 0.91 HRH1 (0.40) CHRNB2CHRNA4CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL22070443 0.91 HRH1 (0.40) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL4719456 0.91 HRH1 (0.40) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL48568 0.85 SLC6A4 (0.37) HTR1ASLC6A2BACE1
Hydrochloric Acid SCHEMBL740920 0.85 SLC6A4 (0.37) HTR1ASLC6A2BACE1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111278840-B Pyrrolo [2,3-B ] pyridine compounds and their use for the treatment of cancer 癌症研究科技有限公司 2023-11-17 — — CN disclosed
US-11447505-B1 Pyrrolo[2,3-b]pyridine compounds and their use in the treatment of cancer CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-09-20 — — US disclosed
EP-3668882-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2020-06-24 — — EP disclosed
CN-111278840-A Pyrrolo [2, 3-B ] pyridine compounds and their use for treating cancer 癌症研究科技有限公司 2020-06-12 — — CN disclosed
WO-2019034890-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-02-21 — — WO 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-11447505-B1 Pyrrolo[2,3-b]pyridine compounds and their use in the treatment of cancer PDXK, CCNK, CDC42BPB CHRNB2 4391/4885CHRNA4 4533/4885CHRM2 3302/4885

“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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