SCHEMBL4016282

SCHEMBL4016282

CCC(=O)c1ncc(Nc2cc(C)[nH]n2)nc1Nc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.48
AURKB Q96GD4 9/20 0.44
JAK3 P52333 5/20 0.44
NTRK1 P04629 4/20 0.44
CDK2 P24941 2/20 0.44
AURKA O14965 5/20 0.44
RET P07949 2/20 0.43
SRC P12931 1/20 0.42
GSK3B P49841 1/20 0.42
PLK4 O00444 1/20 0.42
PAK4 O96013 1/20 0.42
STAT5B P51692 1/20 0.42
DHODH Q02127 1/20 0.40

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
SCHEMBL4170956 0.87 JAK2 (0.48) JAK2AURKBJAK3NTRK1CDK2
SCHEMBL4178162 0.81 AURKB (0.42) AURKBNTRK1AURKASRCGSK3B
SCHEMBL4178714 0.78 CSNK2A1 (0.45) AURKBNTRK1AURKARETSRC
SCHEMBL4171606 0.77 AURKA (0.44) JAK2AURKBJAK3CDK2AURKA
SCHEMBL4171041 0.76 POLB (0.45) AURKBAURKARETPLK4PAK4
SCHEMBL4173212 0.76 RET (0.44) AURKBCDK2AURKARETPLK4
SCHEMBL4013534 0.76 AURKA (0.43) AURKBAURKARETPLK4PAK4
SCHEMBL4304592 0.75 RET (0.47) AURKARETPLK4PAK4
SCHEMBL4176412 0.74 RET (0.45) AURKBAURKARETPLK4PAK4
SCHEMBL4160448 0.74 RET (0.45) AURKBNTRK1AURKARETPLK4

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 7 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
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 disclosed
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 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 JAK2 39/4885AURKB 322/4885JAK3 35/4885

“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.