SCHEMBL7743867

SCHEMBL7743867

CS(=O)(=O)c1c[nH]c2nccnc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
MET P08581 3/20 0.38
GRM4 Q14833 3/20 0.33
SYK P43405 5/20 0.32
ADRA1A P35348 2/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
GLO1 Q04760 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1B P35368 1/20 0.31
PFKFB3 Q16875 1/20 0.30

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
SCHEMBL1701327 0.74 ADRA1A (0.34) METGRM4SYKADRA1AADRA2A
SCHEMBL12223458 0.72 MAPK1 (0.50) MAPK1
SCHEMBL12146875 0.72 HTR2A (0.41) MET
SCHEMBL4878480 0.69 MAPK1 (0.56) MAPK1ADRA2AADRA2C
SCHEMBL12244242 0.68 MAPK1 (0.50) MAPK1MET
SCHEMBL12605459 0.67 POLB (0.43) MAPK1ALOX15HTTGLO1
SCHEMBL2354692 0.66 MAPK1 (0.43) MAPK1SYK
SCHEMBL1093217 0.66 RPS6KA5 (0.40) METADRA1A
SCHEMBL7738688 0.65 MAPK1 (0.52) MAPK1ADRA2AADRA2C
SCHEMBL12146874 0.65 CYP2C19 (0.42) MET

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 4 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-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-20090306087-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

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 201/4885GRM4 3428/4885
US-20090306086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKACA, KIT, FLT3 MAPK1 143/4885MET 359/4885GRM4 3383/4885

“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.