SCHEMBL16343850

SCHEMBL16343850

NC(=O)n1c[c]c2cc(-c3ccc(CN4CCCC4)cc3F)cnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 2/20 0.41
▸ PARP1 P09874 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ MCHR1 Q99705 2/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ BMPR1B O00238 1/20 0.38
▸ BMPR1A P36894 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ ACVRL1 P37023 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ DYRK1A Q13627 5/20 0.37
▸ WNT1 P04628 3/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ CLK3 P49761 1/20 0.37

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 0.86 PARP1 (0.49) PARP1ALDH1A1CHEK1ACHEACVR1
SCHEMBL16343989 0.85 PARP1 (0.50) PARP1ALDH1A1CHEK1ACHEDYRK1A
SCHEMBL16344703 0.83 PARP1 (0.43) PARP1ALDH1A1CHEK1ACHEDYRK1A
SCHEMBL16344780 0.81 PARP1 (0.41) PARP1CHEK1ACHEDYRK1AWNT1
SCHEMBL15155147 0.78 CHEK1 (0.42) PARP1CHEK1ACHE
SCHEMBL16343638 0.77 PARP1 (0.52) PARP1CHEK1ACHEACVR1
SCHEMBL15155222 0.77 GRM2 (0.42) PARP1ALDH1A1CHEK1ACHE
SCHEMBL16344223 0.75 IKBKE (0.42) PARP1HDAC1CHEK1ACHEDYRK1A
SCHEMBL15154962 0.75 CNR2 (0.46) ALDH1A1
SCHEMBL15154825 0.75 CNR2 (0.46) PARP1DYRK1AWNT1CLK2CLK3

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 9 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-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 CHKA 583/4885PARP1 388/4885ALDH1A1 2819/4885
US-20180362526-A1 1H-PYRROLO [2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 CHKA 583/4885PARP1 388/4885ALDH1A1 2819/4885
US-20210206762-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 CHKA 583/4885PARP1 388/4885ALDH1A1 2819/4885
US-10889582-B2 1H-pyrrolo [2,3-b] pyridine derivatives and their use as kinase inhibitors MAP4K2, MAP3K1, MAP3K19 CHKA 583/4885PARP1 388/4885ALDH1A1 2819/4885
US-20150011533-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 CHKA 583/4885PARP1 388/4885ALDH1A1 2819/4885

“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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