SCHEMBL4178162

SCHEMBL4178162

CCC(=O)c1ncc(Nc2cc(C)[nH]n2)nc1Nc1ccc(Cl)c(NC(C)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 12/20 0.42
AURKA O14965 11/20 0.42
IGF1R P08069 3/20 0.42
BRAF P15056 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKCA P17252 1/20 0.40
GRK2 P25098 1/20 0.40
PLK4 O00444 1/20 0.39
NTRK1 P04629 1/20 0.39
WEE1 P30291 1/20 0.39
ALK Q9UM73 1/20 0.39
SRC P12931 2/20 0.38
GSK3B P49841 2/20 0.38
AURKC Q9UQB9 1/20 0.38

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
SCHEMBL4016282 0.81 JAK2 (0.48) AURKBAURKAPLK4NTRK1SRC
SCHEMBL4171530 0.81 IGF1R (0.48) AURKBAURKAIGF1RBRAFROCK2
SCHEMBL4178714 0.74 CSNK2A1 (0.45) AURKBAURKAIGF1RPLK4NTRK1
SCHEMBL4175466 0.74 RET (0.45) AURKBAURKAPLK4
SCHEMBL4171606 0.73 AURKA (0.44) AURKBAURKAIGF1RROCK2PLK4
SCHEMBL4159017 0.73 AURKA (0.47) AURKBAURKABRAFSRCGSK3B
SCHEMBL4171041 0.73 POLB (0.45) AURKBAURKAPLK4
SCHEMBL4173212 0.73 RET (0.44) AURKBAURKAIGF1RPLK4
SCHEMBL4013534 0.72 AURKA (0.43) AURKBAURKAIGF1RPLK4
SCHEMBL4156999 0.72 TNIK (0.43) AURKBAURKAIGF1RBRAFPLK4

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 AURKB 322/4885AURKA 408/4885IGF1R 512/4885

“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.