SCHEMBL4171445

SCHEMBL4171445

Cc1cc(Nc2cncc(-c3ccccc3)n2)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.57
GSK3A P49840 2/20 0.57
ITK Q08881 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.51
AURKA O14965 7/20 0.51
AURKB Q96GD4 4/20 0.51
SRC P12931 3/20 0.51
EIF2AK2 P19525 1/20 0.51
IGF1R P08069 3/20 0.49
JAK2 O60674 2/20 0.47
JAK3 P52333 2/20 0.47
BRAF P15056 2/20 0.46
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
PLK4 O00444 1/20 0.44
PAK4 O96013 1/20 0.44

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
SCHEMBL4013453 0.89 JAK2 (0.47) GSK3BGSK3AITKAURKAAURKB
SCHEMBL4172285 0.88 BRAF (0.48) GSK3BGSK3AITKAURKAAURKB
SCHEMBL4020077 0.86 CCNT1 (0.47) GSK3BGSK3AITKAURKASRC
SCHEMBL4177633 0.86 BRAF (0.52) GSK3BGSK3AITKAURKAAURKB
SCHEMBL4021105 0.85 BRAF (0.53) GSK3BITKAURKAAURKBSRC
SCHEMBL4159207 0.84 CCNT1 (0.48) GSK3BAURKAAURKBJAK2JAK3
SCHEMBL4170239 0.84 JAK2 (0.44) GSK3BGSK3AITKAURKASRC
SCHEMBL4175545 0.83 BRAF (0.58) GSK3BGSK3AITKAURKAJAK2
SCHEMBL13663476 0.83 IGF1R (0.56) GSK3BGSK3AITKAURKAAURKB
SCHEMBL4165689 0.83 ITK (0.50) GSK3BGSK3AITKAURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US claimed
WO-2009089042-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2009-07-16 WO claimed
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
WO-2009089042-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2009-07-16 WO disclosed
WO-2009089042-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2009-07-16 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 (1 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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH MAP3K1, MAP3K15, MAP3K5 GSK3B 356/4885GSK3A 437/4885ITK 951/4885

“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.