SCHEMBL4164306

SCHEMBL4164306

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 13/20 0.42
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41
AURKA O14965 11/20 0.41
DHODH Q02127 1/20 0.39
IGF1R P08069 1/20 0.39
FGFR1 P11362 1/20 0.39
KDR P35968 1/20 0.39
SYK P43405 1/20 0.37
RET P07949 1/20 0.36
SRC P12931 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL4174651 0.88 JAK2 (0.41) AURKBJAK2JAK3AURKADHODH
SCHEMBL4170907 0.85 JAK2 (0.45) AURKBJAK2JAK3AURKADHODH
SCHEMBL13663573 0.81 JAK2 (0.43) AURKBJAK2JAK3AURKADHODH
SCHEMBL13663537 0.80 JAK2 (0.50) AURKBJAK2JAK3AURKADHODH
SCHEMBL13663540 0.79 JAK2 (0.56) AURKBJAK2JAK3AURKADHODH
SCHEMBL4165467 0.79 AURKB (0.44) AURKBJAK2JAK3AURKAKDR
SCHEMBL4169636 0.78 KDR (0.50) AURKBJAK2JAK3AURKADHODH
SCHEMBL4015863 0.78 JAK2 (0.48) AURKBJAK2JAK3AURKADHODH
SCHEMBL4168358 0.78 AURKB (0.43) AURKBJAK2JAK3AURKADHODH
SCHEMBL4159060 0.77 IDO1 (0.44) AURKBJAK2JAK3AURKADHODH

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 322/4885JAK2 39/4885JAK3 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.