SCHEMBL16343564

SCHEMBL16343564

Nc1c[nH]c2ncc(-c3cccc(N4CCCC4)c3)cc12

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.61
▸ KIT P10721 8/20 0.53
▸ NTRK1 P04629 6/20 0.51
▸ PIK3CA P42336 3/20 0.48
▸ DYRK1A Q13627 1/20 0.47
▸ CHEK1 O14757 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ DHFR P00374 1/20 0.44
▸ TNIK Q9UKE5 2/20 0.43
▸ AXL P30530 1/20 0.43
▸ CDK8 P49336 1/20 0.43

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
SCHEMBL28489747 0.83 AXL (0.51) GSK3BKITNTRK1PIK3CADYRK1A
SCHEMBL16344704 0.80 GSK3B (0.57) GSK3BKITNTRK1CHEK1ACHE
SCHEMBL16343917 0.79 GSK3B (0.47) GSK3B
SCHEMBL16344781 0.78 GSK3B (0.57) GSK3BKITNTRK1PIK3CACHEK1
SCHEMBL15154833 0.78 LTA4H (0.58) GSK3BKITNTRK1DYRK1ATNIK
SCHEMBL7112526 0.77 GSK3B (1.00) GSK3BKITNTRK1TNIKAXL
Hydrochloric Acid SCHEMBL7113562 0.76 GSK3B (0.97) GSK3BKITNTRK1TNIKAXL
SCHEMBL16343630 0.73 CHEK1 (0.59) GSK3BCHEK1ACHETNIK
SCHEMBL16344153 0.72 GSK3B (0.73) GSK3BKITNTRK1PIK3CADYRK1A
SCHEMBL16343990 0.72 CHEK1 (0.61) GSK3BCHEK1ACHETNIK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210206762-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS (R&D) LIMITED (GB) 2021-07-08 — — US claimed
US-10889582-B2 1H-pyrrolo [2,3-b] pyridine derivatives and their use as kinase inhibitors VERNALIS (R&D) LIMITED (GB) 2021-01-12 — — US claimed
US-20180362526-A1 1H-PYRROLO [2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS DEVELOPMENT LIMITED (GB) 2018-12-20 — — US claimed
EP-2809670-B1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS R&D LTD (GB) 2017-05-17 — — EP claimed
US-20210206762-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS (R&D) LIMITED (GB) 2021-07-08 — — US disclosed
US-10889582-B2 1H-pyrrolo [2,3-b] pyridine derivatives and their use as kinase inhibitors VERNALIS (R&D) LIMITED (GB) 2021-01-12 — — US disclosed
US-20180362526-A1 1H-PYRROLO [2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS DEVELOPMENT LIMITED (GB) 2018-12-20 — — US disclosed
US-10000481-B2 1H-pyrrolo[2,3-B] pyridine derivatives and their use as kinase inhibitors VERNALIS (R&D) LIMITED (GB) 2018-06-19 — — US disclosed
EP-2809670-B1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS R&D LTD (GB) 2017-05-17 — — EP disclosed
US-20150011533-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS (R&D) LIMITED (GB) 2015-01-08 — — US 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 (5 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-10000481-B2 1H-pyrrolo[2,3-B] pyridine derivatives and their use as kinase inhibitors MAP4K2, MAP3K1, MAP3K19 GSK3B 318/4885KIT 1558/4885NTRK1 510/4885
US-20180362526-A1 1H-PYRROLO [2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 GSK3B 318/4885KIT 1558/4885NTRK1 510/4885
US-20210206762-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 GSK3B 318/4885KIT 1558/4885NTRK1 510/4885
US-10889582-B2 1H-pyrrolo [2,3-b] pyridine derivatives and their use as kinase inhibitors MAP4K2, MAP3K1, MAP3K19 GSK3B 318/4885KIT 1558/4885NTRK1 510/4885
US-20150011533-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 GSK3B 318/4885KIT 1558/4885NTRK1 510/4885

“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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