SCHEMBL858934

SCHEMBL858934

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.50
TDP1 Q9NUW8 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
CDK2 P24941 2/20 0.45
CDK9 P50750 2/20 0.45
CDK5 Q00535 2/20 0.45
AURKB Q96GD4 2/20 0.45
AXL P30530 2/20 0.45
PRKCI P41743 2/20 0.45
CDC7 O00311 1/20 0.45
PLK4 O00444 1/20 0.45
CHEK1 O14757 1/20 0.45
MAPK13 O15264 1/20 0.45
PDPK1 O15530 1/20 0.45
DAPK3 O43293 1/20 0.45
DYRK3 O43781 1/20 0.45
ROCK2 O75116 1/20 0.45

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
SCHEMBL29955671 0.81 KMT2A (0.43) LRRK2TDP1MEN1KMT2AALDH1A1
SCHEMBL3723388 0.81 MET (0.43) LRRK2TDP1MEN1KMT2AALDH1A1
SCHEMBL4582883 0.81 MET (0.40) LRRK2TDP1MEN1KMT2AALDH1A1
SCHEMBL13903471 0.75 ALDH1A1 (0.54) TDP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL2316717 0.75 CHEK1 (0.53) TDP1KMT2AKDM4ECHEK1AKT1
SCHEMBL29953624 0.75 KMT2A (0.46) LRRK2TDP1MEN1KMT2AALDH1A1
SCHEMBL1467726 0.75 ALDH1A1 (0.33) TDP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL16785960 0.75 LRRK2 (0.62) LRRK2CDK2CDK9CDK5AURKB
SCHEMBL30498278 0.74 ALDH1A1 (0.39) TDP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL27199467 0.74 ALDH1A1 (0.39) TDP1MEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855473-B1 PROCESS FOR PREPARING INTERMEDIATES COMPOUND GENENTECH INC (US) 2018-10-03 EP claimed
US-9221813-B2 Intermediates and processes for preparing compounds GENENTECH, INC. (US) 2015-12-29 US claimed
US-20150105557-A1 INTERMEDIATES AND PROCESSES FOR PREPARING COMPOUNDS GENENTECH, INC. 2015-04-16 US claimed
EP-2855473-A1 INTERMEDIATES AND PROCESSES FOR PREPARING COMPOUNDS Genentech, Inc. (US) 2015-04-08 EP claimed
WO-2013163109-A1 INTERMEDIATES AND PROCESSES FOR PREPARING COMPOUNDS GENENTECH, INC. (US) 2013-10-31 WO claimed
EP-2855473-B1 PROCESS FOR PREPARING INTERMEDIATES COMPOUND GENENTECH INC (US) 2018-10-03 EP disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-9221813-B2 Intermediates and processes for preparing compounds GENENTECH, INC. (US) 2015-12-29 US disclosed
US-9221813-B2 Intermediates and processes for preparing compounds GENENTECH, INC. (US) 2015-12-29 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-22 US disclosed
EP-1910358-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS Astellas Pharma Inc. (JP) 2008-04-16 EP disclosed
WO-2007007919-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-01-18 WO disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 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 (6 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-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 LRRK2 725/4885TDP1 1409/4885MEN1 4089/4885
US-20150105557-A1 INTERMEDIATES AND PROCESSES FOR PREPARING COMPOUNDS CHEK1, CHEK2, PLK1 LRRK2 869/4885TDP1 309/4885MEN1 543/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 LRRK2 491/4885TDP1 631/4885MEN1 1452/4885
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK2, JAK1 LRRK2 444/4885TDP1 3111/4885MEN1 923/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 LRRK2 491/4885TDP1 631/4885MEN1 1452/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 LRRK2 491/4885TDP1 631/4885MEN1 1452/4885

“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.