SCHEMBL16343917

SCHEMBL16343917

Nc1c[nH]c2ncc(N3CCCCC3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.47
▸ IP6K1 Q92551 7/20 0.45
▸ MAP4K4 O95819 1/20 0.41
▸ ROCK1 Q13464 5/20 0.41
▸ CDC42BPB Q9Y5S2 5/20 0.41
▸ ROCK2 O75116 4/20 0.41
▸ JAK3 P52333 2/20 0.40
▸ S100B P04271 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL18860555 0.82 BRD4 (0.40) IP6K1MAP4K4ROCK1CDC42BPBROCK2
SCHEMBL18891802 0.82 ROCK2 (0.45) IP6K1MAP4K4ROCK1CDC42BPBROCK2
SCHEMBL21557922 0.82 BRD4 (0.40) IP6K1MAP4K4ROCK1CDC42BPBROCK2
SCHEMBL18891653 0.80 ROCK2 (0.43) IP6K1ROCK1CDC42BPBROCK2JAK3
SCHEMBL18860544 0.80 BRD4 (0.41) IP6K1JAK3MAPK1ALDH1A1LMNA
SCHEMBL16343564 0.79 GSK3B (0.61) GSK3B
SCHEMBL19068211 0.76 AXL (0.59) MAP4K4ROCK2JAK3
SCHEMBL19068207 0.75 NTRK1 (0.53) ROCK1CDC42BPBROCK2MAPK1CDC42BPA
SCHEMBL19351251 0.74 AXL (0.61) MAP4K4ROCK2JAK3
SCHEMBL19068203 0.73 NTRK1 (0.54) MAPK1

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 14 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-10000481-B2 1H-pyrrolo[2,3-B] pyridine derivatives and their use as kinase inhibitors VERNALIS (R&D) LIMITED (GB) 2018-06-19 — — 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-20150011533-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS (R&D) LIMITED (GB) 2015-01-08 — — 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
CN-106866658-B 1H-pyrrolo [2,3-b ] pyridine derivatives and their use as kinase inhibitors 沃纳利斯(R&D)有限公司 2021-04-27 — — CN 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
CN-111484493-A 1H-pyrrolo [2,3-b ] pyridine derivatives and their use as kinase inhibitors 沃纳利斯(R&D)有限公司 2020-08-04 — — CN 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 318/4885IP6K1 235/4885MAP4K4 24/4885
US-20180362526-A1 1H-PYRROLO [2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 GSK3B 318/4885IP6K1 235/4885MAP4K4 24/4885
US-20210206762-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 GSK3B 318/4885IP6K1 235/4885MAP4K4 24/4885
US-10889582-B2 1H-pyrrolo [2,3-b] pyridine derivatives and their use as kinase inhibitors MAP4K2, MAP3K1, MAP3K19 GSK3B 318/4885IP6K1 235/4885MAP4K4 24/4885
US-20150011533-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 GSK3B 318/4885IP6K1 235/4885MAP4K4 24/4885

“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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