SCHEMBL4582883

SCHEMBL4582883

O=[N+]([O-])c1c[nH]c2nccc(Br)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.40
PRKCI P41743 1/20 0.39
AXL P30530 1/20 0.38
MAPK1 P28482 2/20 0.37
DAO P14920 1/20 0.37
JAK2 O60674 1/20 0.34
IKBKB O14920 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LRRK2 Q5S007 1/20 0.33
GLA P06280 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK1 P49759 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CYP19A1 P11511 1/20 0.33
PKM P14618 1/20 0.33
ERBB2 P04626 1/20 0.33
PTK6 Q13882 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL2882516 0.87 AXL (0.41) METPRKCIAXLMAPK1DAO
SCHEMBL858934 0.81 LRRK2 (0.50) METPRKCIAXLMAPK1DAO
SCHEMBL3723388 0.81 MET (0.43) METJAK2ALDH1A1LRRK2DYRK1A
SCHEMBL29955671 0.78 KMT2A (0.43) METALDH1A1LRRK2DYRK1ACLK1
SCHEMBL16533894 0.77 MAPT (0.36) METMAPK1ALDH1A1GLADYRK1A
SCHEMBL17920787 0.75 CYP1A2 (0.36) METALDH1A1GLARAB9AMAPT
SCHEMBL1468836 0.75 MAPT (0.35) METMAPK1ALDH1A1GLAPKM
SCHEMBL15349776 0.75 MAPT (0.35) METMAPK1ALDH1A1GLACLK1
SCHEMBL1036038 0.75 MAPK1 (0.52) PRKCIAXLMAPK1DAOJAK2
SCHEMBL14158703 0.74 MET (0.40) METJAK2ALDH1A1LRRK2DYRK1A

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 13 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 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
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
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
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 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 MET 730/4885PRKCI 54/4885AXL 523/4885
US-20180362526-A1 1H-PYRROLO [2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 MET 730/4885PRKCI 54/4885AXL 523/4885
US-20210206762-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 MET 730/4885PRKCI 54/4885AXL 523/4885
US-10889582-B2 1H-pyrrolo [2,3-b] pyridine derivatives and their use as kinase inhibitors MAP4K2, MAP3K1, MAP3K19 MET 730/4885PRKCI 54/4885AXL 523/4885
US-20150011533-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 MET 730/4885PRKCI 54/4885AXL 523/4885

“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.