SCHEMBL7114099

SCHEMBL7114099

O=[N+]([O-])c1c[nH]c2ncc(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.48
AURKA O14965 2/20 0.48
JAK2 O60674 2/20 0.48
PRKD3 O94806 2/20 0.48
MAP4K4 O95819 2/20 0.48
FGFR1 P11362 2/20 0.48
FLT1 P17948 2/20 0.48
KDR P35968 2/20 0.48
CLK2 P49760 2/20 0.48
CDK5 Q00535 2/20 0.48
MAP4K2 Q12851 2/20 0.48
TAOK1 Q7L7X3 2/20 0.48
AURKB Q96GD4 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
PLK4 O00444 1/20 0.48
ROCK2 O75116 1/20 0.48
PRKCG P05129 1/20 0.48
INSR P06213 1/20 0.48
CDK1 P06493 1/20 0.48
FES P07332 1/20 0.48

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
SCHEMBL15154912 0.81 SMN1; SMN2 (0.44) DYRK1ADYRK1BMETPKMPOLB
SCHEMBL23166582 0.81 DYRK1A (0.39) DYRK1AFLT3DYRK1BMETGSK3A
SCHEMBL15155057 0.81 JAK2 (0.48) DYRK1AJAK2FLT1KDRAURKB
SCHEMBL29954974 0.78 AXL (0.39) DYRK1ADYRK1BMETKMT2AMAPT
SCHEMBL22050731 0.77 JAK2 (0.41) DYRK1AJAK2JAK3DYRK1BMET
SCHEMBL7111817 0.76 AXL (0.60) DYRK1AIGF1RDYRK1BCDK8GSK3B
SCHEMBL23726928 0.75 DYRK1A (0.40) DYRK1AAURKAJAK2PRKD3MAP4K4
SCHEMBL858264 0.75 IDO1 (0.39) DYRK1AAURKAJAK2PRKD3MAP4K4
SCHEMBL30376725 0.75 BRAF (0.43) DYRK1AAURKAJAK2PRKD3MAP4K4
SCHEMBL25447389 0.74 BRAF (0.46) DYRK1AAURKAJAK2PRKD3MAP4K4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110105356-B Azaindole compound and preparation method and application thereof 四川国康药业有限公司 2022-04-01 CN disclosed
CN-109942574-B Tianqitinib and preparation method and application thereof 成都阿奇生物医药科技有限公司 2022-04-01 CN disclosed
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
CN-109942574-A Its surprise is for Buddhist nun and its preparation method and application 成都阿奇生物医药科技有限公司 2019-06-28 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
CN-104829609-B Substituted Pyridopyrimidine compound and its preparation method and application 北大方正集团有限公司 2016-08-03 CN disclosed
WO-2015120737-A1 SUBSTITUTED PYRIDOPYRIMIDINE COMPOUNDS, PREPARATION METHODS THEREFOR AND USES THEREOF 北大方正集团有限公司 2015-08-20 WO disclosed
CN-104829609-A Substituted pyridinopyrimidine compound, preparation method and application thereof UNIV PEKING FOUNDER GROUP CO 2015-08-12 CN 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
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
EP-2809670-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS Vernalis (R&D) Limited (GB) 2014-12-10 EP disclosed
CN-104203948-A 1H-pyrrolo [2,3-b ] pyridine derivatives and their use as kinase inhibitors VERNALIS R&D LTD 2014-12-10 CN disclosed
WO-2013114113-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS (R&D) LIMITED (GB) 2013-08-08 WO disclosed
WO-2013114113-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS (R&D) LIMITED (GB) 2013-08-08 WO disclosed
WO-2003028724-A1 CHK1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 WO 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 DYRK1A 288/4885AURKA 220/4885JAK2 39/4885
US-20180362526-A1 1H-PYRROLO [2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 DYRK1A 288/4885AURKA 220/4885JAK2 39/4885
US-20210206762-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 DYRK1A 288/4885AURKA 220/4885JAK2 39/4885
US-10889582-B2 1H-pyrrolo [2,3-b] pyridine derivatives and their use as kinase inhibitors MAP4K2, MAP3K1, MAP3K19 DYRK1A 288/4885AURKA 220/4885JAK2 39/4885
US-20150011533-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 DYRK1A 288/4885AURKA 220/4885JAK2 39/4885

“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.