SCHEMBL4166885

SCHEMBL4166885

Cc1cc(Nc2cncc(Nc3cccc(NC(=O)Nc4ccccc4)c3)n2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
GBA1 P04062 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
BRAF P15056 4/20 0.47
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CCNA1 P78396 1/20 0.46
EGFR P00533 2/20 0.46
IDO1 P14902 1/20 0.46
AURKA O14965 4/20 0.45
AURKB Q96GD4 3/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
IGF1R P08069 1/20 0.43
NTRK1 P04629 1/20 0.43
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
SRC P12931 2/20 0.43

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
SCHEMBL4019638 0.89 CCNA2 (0.59) MEN1NPC1RAB9AKMT2ABRAF
SCHEMBL4165822 0.89 BRAF (0.59) BRAFEGFRAURKAAURKBSRC
SCHEMBL4170849 0.89 MEN1 (0.49) MEN1NPC1GBA1RAB9AKMT2A
SCHEMBL4013576 0.87 NPC1 (0.44) MEN1NPC1GBA1RAB9AKMT2A
SCHEMBL4016167 0.87 JAK2 (0.45) MEN1NPC1RAB9AKMT2ABRAF
SCHEMBL4167543 0.87 BRAF (0.52) NPC1RAB9ABRAFEGFRAURKA
SCHEMBL4176140 0.86 MAPT (0.50) RAB9ABRAFEGFRAURKAAURKB
SCHEMBL13663476 0.84 IGF1R (0.56) MEN1RAB9AKMT2ABRAFCCNA2
SCHEMBL4173871 0.84 MGLL (0.48) BRAFEGFRROCK2KDR
SCHEMBL4159368 0.81 PLK4 (0.48) MEN1KMT2ACCNA2CDK2CCNA1

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 3321/4885NPC1 2810/4885GBA1 3800/4885

“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.