SCHEMBL4159017

SCHEMBL4159017

CCc1ccc(Nc2cncc(Nc3cc(C)[nH]n3)n2)cc1NC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.47
AURKB Q96GD4 10/20 0.47
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
TNIK Q9UKE5 1/20 0.42
BRAF P15056 3/20 0.42
KDR P35968 1/20 0.41
SRC P12931 1/20 0.41
GSK3B P49841 1/20 0.41
AURKC Q9UQB9 1/20 0.41
SYK P43405 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
SCHEMBL4168807 0.90 JAK2 (0.42) AURKAAURKBJAK2JAK3TNIK
SCHEMBL4167316 0.89 TNIK (0.43) AURKAAURKBJAK2JAK3TNIK
SCHEMBL4169636 0.88 KDR (0.50) AURKAAURKBJAK2JAK3TNIK
SCHEMBL4171530 0.86 IGF1R (0.48) AURKAAURKBJAK2JAK3TNIK
SCHEMBL4164782 0.86 JAK2 (0.48) AURKAAURKBJAK2JAK3TNIK
SCHEMBL4172601 0.83 JAK2 (0.40) AURKAAURKBJAK2JAK3TNIK
SCHEMBL4165822 0.81 BRAF (0.59) AURKAAURKBBRAFSRC
SCHEMBL4161735 0.80 TNIK (0.46) AURKAAURKBJAK2JAK3TNIK
SCHEMBL4168358 0.79 AURKB (0.43) AURKAAURKBJAK2JAK3KDR
SCHEMBL4015863 0.79 JAK2 (0.48) AURKAAURKBJAK2JAK3TNIK

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 AURKA 408/4885AURKB 322/4885JAK2 39/4885

“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.