SCHEMBL544726

SCHEMBL544726

O=[N+]([O-])c1c[nH]c2nccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
MET P08581 1/20 0.41
PDE10A Q9Y233 1/20 0.41
RAB9A P51151 2/20 0.40
MAPT P10636 7/20 0.37
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 5/20 0.37
LMNA P02545 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
CTSB P07858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSP90AA1 P07900 2/20 0.37
GAA P10253 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
BRD4 O60885 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
SCHEMBL6839978 0.74 PDE10A (0.42) MAPK1METPDE10ARAB9AMAPT
SCHEMBL6380349 0.74 PDE10A (0.42) MAPK1METPDE10ARAB9AMAPT
SCHEMBL31325654 0.74 MAPK1 (0.54) MAPK1METPDE10ARAB9AMAPT
SCHEMBL14331900 0.74 MAPK1 (0.54) MAPK1METPDE10ARAB9AMAPT
SCHEMBL14375672 0.74 RAB9A (0.35) MAPK1METPDE10ARAB9AMAPT
SCHEMBL3169007 0.73 PDE10A (0.53) MAPK1METPDE10ARAB9AMAPT
SCHEMBL2181204 0.73 MET (0.62) METPDE10ARAB9AMAPTMEN1
SCHEMBL30166973 0.70 MEN1 (0.45) PDE10ARAB9AMAPTMEN1KMT2A
SCHEMBL28967640 0.70 MEN1 (0.45) PDE10ARAB9AMAPTMEN1KMT2A
SCHEMBL4582883 0.70 MET (0.40) MAPK1METRAB9AMAPTMEN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119637-B2 Substituted pyrrolo[2,3-b]pyrazines and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-02-21 US disclosed
US-8119637-B2 Substituted pyrrolo[2,3-b]pyrazines and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-02-21 US disclosed
US-8119637-B2 Substituted pyrrolo[2,3-b]pyrazines and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-02-21 US disclosed
US-8110576-B2 Pyrrolo(2,3-b)pyrazine compounds; Raf kinase inhibitors including A-Raf, B-Raf and/or c-Raf-1 oncogenes; melanoma, colorectal cancer, thyroid cancer, ovarian cancer, cholangiocarcinoma, pain or polycystic kidney disease PLEXXIKON INC. (US) 2012-02-07 US disclosed
US-8110576-B2 Pyrrolo(2,3-b)pyrazine compounds; Raf kinase inhibitors including A-Raf, B-Raf and/or c-Raf-1 oncogenes; melanoma, colorectal cancer, thyroid cancer, ovarian cancer, cholangiocarcinoma, pain or polycystic kidney disease PLEXXIKON INC. (US) 2012-02-07 US disclosed
US-8110576-B2 Pyrrolo(2,3-b)pyrazine compounds; Raf kinase inhibitors including A-Raf, B-Raf and/or c-Raf-1 oncogenes; melanoma, colorectal cancer, thyroid cancer, ovarian cancer, cholangiocarcinoma, pain or polycystic kidney disease PLEXXIKON INC. (US) 2012-02-07 US disclosed
EP-2313411-A1 5H-PYRR0L0 [2,3-B]PYRAZINE DERIVATIVES FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-04-27 EP disclosed
WO-2009152083-A1 5H-PYRR0L0 [2,3-B] PYRAZINE DERIVATIVES FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-12-17 WO disclosed
WO-2009152083-A1 5H-PYRR0L0 [2,3-B] PYRAZINE DERIVATIVES FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-12-17 WO disclosed
WO-2009152087-A1 BICYCLIC HETEROARYL COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-12-17 WO disclosed
WO-2009152087-A1 BICYCLIC HETEROARYL COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-12-17 WO disclosed
US-20090306086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-12-10 US disclosed
US-20090306086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-12-10 US disclosed
US-20090306086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-12-10 US disclosed
US-20090306087-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2009-12-10 US disclosed
US-20090306087-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2009-12-10 US disclosed
US-20090306087-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2009-12-10 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 (2 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-20090306087-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, PRKACA, RAF1 MAPK1 79/4885MET 201/4885PDE10A 831/4885
US-20090306086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKACA, KIT, FLT3 MAPK1 143/4885MET 359/4885PDE10A 833/4885

“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.