SCHEMBL16343630

SCHEMBL16343630

Nc1c[nH]c2ncc(-c3ccc(CN4CCCC4)cc3)cc12

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 7/20 0.59
▸ GSK3B P49841 1/20 0.58
▸ TNIK Q9UKE5 6/20 0.58
▸ MAP3K11 Q16584 5/20 0.54
▸ ACHE P22303 3/20 0.54
▸ IKBKB O14920 1/20 0.53
▸ CHUK O15111 1/20 0.53
▸ ABL1 P00519 1/20 0.53
▸ INSR P06213 1/20 0.53
▸ CDK2 P24941 1/20 0.53
▸ FLT3 P36888 1/20 0.53
▸ MAP4K1 Q92918 1/20 0.53

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
SCHEMBL16343990 0.99 CHEK1 (0.61) CHEK1GSK3BTNIKMAP3K11ACHE
SCHEMBL16343639 0.90 MAP4K1 (0.64) CHEK1GSK3BTNIKMAP3K11ACHE
SCHEMBL15155149 0.89 CHEK1 (0.57) CHEK1GSK3BTNIKMAP3K11ACHE
SCHEMBL16344704 0.87 GSK3B (0.57) CHEK1GSK3BTNIKMAP3K11ACHE
SCHEMBL15155226 0.86 TNIK (0.48) CHEK1GSK3BTNIKMAP3K11ACHE
SCHEMBL16344781 0.85 GSK3B (0.57) CHEK1GSK3BTNIKMAP3K11
SCHEMBL16343851 0.84 TNIK (0.48) CHEK1GSK3BTNIKMAP3K11ACHE
SCHEMBL15154943 0.83 MAP3K11 (0.58) GSK3BTNIKMAP3K11IKBKBCHUK
SCHEMBL28912619 0.83 CHEK1 (0.63) CHEK1TNIKMAP3K11ACHEMAP4K1
SCHEMBL20585269 0.82 CHEK1 (0.64) CHEK1TNIKMAP3K11ACHEMAP4K1

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 CHEK1 193/4885GSK3B 318/4885TNIK 289/4885
US-20180362526-A1 1H-PYRROLO [2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 CHEK1 193/4885GSK3B 318/4885TNIK 289/4885
US-20210206762-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 CHEK1 193/4885GSK3B 318/4885TNIK 289/4885
US-10889582-B2 1H-pyrrolo [2,3-b] pyridine derivatives and their use as kinase inhibitors MAP4K2, MAP3K1, MAP3K19 CHEK1 193/4885GSK3B 318/4885TNIK 289/4885
US-20150011533-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 CHEK1 193/4885GSK3B 318/4885TNIK 289/4885

“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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