SCHEMBL16343989

SCHEMBL16343989

NC(=O)n1c[c]c2cc(-c3ccc(CN4CCCCC4)cc3)cnc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.50
▸ CHEK1 O14757 8/20 0.49
▸ ACHE P22303 3/20 0.49
▸ HRH3 Q9Y5N1 4/20 0.45
▸ HRH4 Q9H3N8 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ WNT1 P04628 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ CLK3 P49761 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ PARP2 Q9UGN5 1/20 0.41

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
SCHEMBL16343629 0.99 PARP1 (0.49) PARP1CHEK1ACHEHRH3HRH4
SCHEMBL16343638 0.90 PARP1 (0.52) PARP1CHEK1ACHEHRH3
SCHEMBL15155147 0.89 CHEK1 (0.42) PARP1CHEK1ACHEHRH3
SCHEMBL16344703 0.88 PARP1 (0.43) PARP1CHEK1ACHEHRH3ALDH1A1
SCHEMBL15155222 0.86 GRM2 (0.42) PARP1CHEK1ACHEHRH3ALDH1A1
SCHEMBL16343850 0.85 CHKA (0.41) PARP1CHEK1ACHEALDH1A1WNT1
SCHEMBL15154942 0.84 GRM2 (0.44) PARP1CHEK1ACHEWNT1CLK2
SCHEMBL16344223 0.81 IKBKE (0.42) PARP1CHEK1ACHEHRH3WNT1
SCHEMBL16343530 0.79 PARP1 (0.39) PARP1PARP2
SCHEMBL16343566 0.79 PARP1 (0.47) PARP1HRH3CYP2D6CYP2C19PARP2

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 8 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
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-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 PARP1 388/4885CHEK1 193/4885ACHE 3736/4885
US-20180362526-A1 1H-PYRROLO [2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 PARP1 388/4885CHEK1 193/4885ACHE 3736/4885
US-20210206762-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 PARP1 388/4885CHEK1 193/4885ACHE 3736/4885
US-10889582-B2 1H-pyrrolo [2,3-b] pyridine derivatives and their use as kinase inhibitors MAP4K2, MAP3K1, MAP3K19 PARP1 388/4885CHEK1 193/4885ACHE 3736/4885
US-20150011533-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 PARP1 388/4885CHEK1 193/4885ACHE 3736/4885

“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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