SCHEMBL4167316

SCHEMBL4167316

CCOC(=O)Nc1cc(Nc2cncc(Nc3cc(C)[nH]n3)n2)ccc1CC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 3/20 0.43
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41
AURKB Q96GD4 9/20 0.41
AURKA O14965 8/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MPI P34949 1/20 0.39
KIT P10721 1/20 0.38
SRC P12931 1/20 0.38
GSK3B P49841 1/20 0.38
MTNR1B P49286 1/20 0.38
EGFR P00533 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
SCHEMBL4168807 0.93 JAK2 (0.42) TNIKJAK2JAK3AURKBAURKA
SCHEMBL4161735 0.91 TNIK (0.46) TNIKJAK2JAK3AURKBAURKA
SCHEMBL4159017 0.89 AURKA (0.47) TNIKJAK2JAK3AURKBAURKA
SCHEMBL4172601 0.87 JAK2 (0.40) TNIKJAK2JAK3AURKBAURKA
SCHEMBL4166637 0.82 JAK2 (0.44) TNIKJAK2JAK3AURKBAURKA
SCHEMBL4016186 0.80 BRAF (0.46) TNIKJAK2JAK3AURKBAURKA
SCHEMBL4156999 0.80 TNIK (0.43) TNIKJAK2JAK3AURKBAURKA
SCHEMBL4176386 0.80 JAK2 (0.47) TNIKJAK2JAK3AURKBAURKA
SCHEMBL4172948 0.79 JAK2 (0.46) JAK2JAK3AURKBAURKAEGFR
SCHEMBL4168795 0.78 JAK2 (0.46) TNIKJAK2JAK3AURKBAURKA

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 TNIK 170/4885JAK2 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.