SCHEMBL4171497

SCHEMBL4171497

COc1ccc(-c2ncc(Nc3cc(C)[nH]n3)nc2N)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 3/20 0.45
▸ ITK Q08881 1/20 0.40
▸ PIK3CA P42336 4/20 0.39
▸ RET P07949 1/20 0.39
▸ KIT P10721 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ PIP5K1C O60331 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PI4KA P42356 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ JAK2 O60674 2/20 0.36
▸ JAK3 P52333 2/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ AURKA O14965 2/20 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
SCHEMBL4300039 0.86 RET (0.46) TNIKITKRETAURKAAURKB
SCHEMBL4298197 0.83 DHFR (0.46) TNIKITKRETKITJAK2
SCHEMBL4162005 0.82 JAK2 (0.39) ITKPIK3CARETMTORPIK3CD
SCHEMBL4171086 0.82 NPC1 (0.41) ITKRETJAK2JAK3AURKA
SCHEMBL4303875 0.81 JAK2 (0.49) ITKRETJAK2JAK3AURKA
SCHEMBL4169624 0.81 ITK (0.43) ITKJAK2JAK3AURKAAURKB
SCHEMBL4179012 0.81 MEN1 (0.46) ITKRETJAK2JAK3AURKA
SCHEMBL4180755 0.81 AURKA (0.46) ITKPIK3CGAURKAAURKB
SCHEMBL4168909 0.80 IKBKB (0.46) ITKRETJAK2JAK3AURKA
SCHEMBL4167343 0.80 ITK (0.41) ITKRETKITJAK2JAK3

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 3 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

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 170/4885ITK 951/4885PIK3CA 276/4885

“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.

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