SCHEMBL4177748

SCHEMBL4177748

Cc1cc(Nc2cncc(Nc3cccc(NS(=O)(=O)c4ccccc4)c3)n2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.49
CDK1 P06493 1/20 0.49
CDK2 P24941 1/20 0.49
FLT3 P36888 6/20 0.47
AURKA O14965 5/20 0.47
KDR P35968 2/20 0.47
FLT1 P17948 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.43
IGF1R P08069 1/20 0.42
GAA P10253 1/20 0.42
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41
HTR6 P50406 1/20 0.41
PLK4 O00444 1/20 0.41
PAK4 O96013 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL4161632 0.88 CDK2 (0.47) CDK1CDK2AURKAIGF1RJAK2
SCHEMBL13663476 0.83 IGF1R (0.56) CDK2AURKAALDH1A1KDM4EHSD17B10
SCHEMBL4166885 0.81 MEN1 (0.47) CDK2FLT3AURKAKDRIGF1R
SCHEMBL13663484 0.79 JAK2 (0.49) AURKAKDRHPGDIGF1RJAK2
SCHEMBL4019638 0.79 CCNA2 (0.59) CDK2AURKASRC
SCHEMBL13663480 0.78 NPC1 (0.51) AURKAIGF1RJAK2JAK3PLK4
SCHEMBL4165822 0.78 BRAF (0.59) AURKASRC
SCHEMBL13663485 0.76 AURKA (0.58) AURKAKDRALDH1A1HPGDKDM4E
SCHEMBL4167543 0.76 BRAF (0.52) AURKAJAK2JAK3
SCHEMBL13663516 0.75 DHODH (0.47) AURKAKDRIGF1RJAK2JAK3

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 KIT 1103/4885CDK1 47/4885CDK2 67/4885

“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.