SCHEMBL4170849

SCHEMBL4170849

Cc1cc(Nc2cncc(Nc3ccc(C)c(NC(=O)Nc4ccccc4)c3)n2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
ATM Q13315 1/20 0.49
AURKB Q96GD4 8/20 0.46
AURKA O14965 8/20 0.46
BRAF P15056 1/20 0.44
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
SRC P12931 2/20 0.42
GSK3B P49841 2/20 0.42
AURKC Q9UQB9 1/20 0.42

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
SCHEMBL4013576 0.90 NPC1 (0.44) MEN1KMT2AMAPTAURKBAURKA
SCHEMBL4016167 0.90 JAK2 (0.45) MEN1KMT2ALMNAMAPTAURKB
SCHEMBL4013428 0.89 JAK2 (0.44) MEN1KMT2ALMNAMAPTATM
SCHEMBL4166885 0.89 MEN1 (0.47) MEN1KMT2AAURKBAURKABRAF
SCHEMBL4169636 0.86 KDR (0.50) AURKBAURKABRAFKDRCDK2
SCHEMBL4169270 0.86 JAK2 (0.46) MEN1KMT2ALMNAMAPTATM
SCHEMBL4015863 0.86 JAK2 (0.48) MEN1KMT2ALMNAMAPTATM
SCHEMBL4166637 0.85 JAK2 (0.44) AURKBAURKABRAFKDRJAK2
SCHEMBL4168358 0.84 AURKB (0.43) AURKBAURKAKDRJAK2JAK3
SCHEMBL4021257 0.84 JAK2 (0.43) MEN1KMT2AAURKBAURKAKDR

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 MEN1 3321/4885KMT2A 844/4885LMNA 1858/4885

“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.