SCHEMBL4017086

SCHEMBL4017086

Cc1cc(Nc2cnc(C(=O)NC3CNC3)c(Nc3ccc(Cl)cc3)n2)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 10/20 0.56
RET P07949 2/20 0.42
AURKA O14965 2/20 0.41
SYK P43405 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
IGF1R P08069 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
BTK Q06187 1/20 0.38
CSNK2A1 P68400 1/20 0.37
RIPK1 Q13546 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
SCHEMBL4172082 0.93 PAK4 (0.52) PAK4RETAURKAIGF1RRIPK1
SCHEMBL4165932 0.93 PAK4 (0.52) PAK4RETAURKAIGF1RRIPK1
SCHEMBL4165938 0.93 PAK4 (0.52) PAK4RETAURKAIGF1RRIPK1
SCHEMBL4165865 0.92 PAK4 (0.49) PAK4SYKIGF1R
SCHEMBL4165549 0.92 PAK4 (0.49) PAK4SYKIGF1R
SCHEMBL4165541 0.92 PAK4 (0.49) PAK4SYKIGF1R
SCHEMBL4167037 0.91 PAK4 (0.58) PAK4RETAURKAIGF1RBTK
SCHEMBL4299093 0.89 PAK4 (0.47) PAK4RETAURKASYKIGF1R
SCHEMBL4016099 0.89 PAK4 (0.47) PAK4RETAURKASYKIGF1R
SCHEMBL4173212 0.86 RET (0.44) PAK4RETAURKASYKMEN1

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 5 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

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 PAK4 463/4885RET 370/4885AURKA 408/4885

“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.