SCHEMBL4159357

SCHEMBL4159357

Cc1cc(Nc2cnc(-c3cccc(C(C)(C)C)c3)c(N)n2)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.44
▸ GSK3A P49840 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ SYK P43405 1/20 0.39
▸ IKBKB O14920 1/20 0.38
▸ AURKA O14965 7/20 0.38
▸ AURKB Q96GD4 5/20 0.38
▸ SRC P12931 2/20 0.38
▸ EIF2AK2 P19525 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ EGFR P00533 2/20 0.37
▸ IGF1R P08069 2/20 0.36
▸ JAK2 O60674 4/20 0.36
▸ JAK3 P52333 3/20 0.36
▸ INSR P06213 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ RET P07949 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL4180755 0.83 AURKA (0.46) ITKGSK3BAURKAAURKBEGFR
SCHEMBL4169624 0.81 ITK (0.43) ITKGSK3AGSK3BSYKAURKA
SCHEMBL4168909 0.79 IKBKB (0.46) ITKSYKIKBKBAURKAAURKB
SCHEMBL4179012 0.78 MEN1 (0.46) ITKGSK3BSYKIKBKBAURKA
SCHEMBL4303875 0.78 JAK2 (0.49) ITKGSK3AGSK3BAURKAAURKB
SCHEMBL4179956 0.78 JAK2 (0.43) ITKSYKAURKAAURKBDHODH
SCHEMBL4169281 0.78 MEN1 (0.43) ITKGSK3BSYKIKBKBAURKA
SCHEMBL4167808 0.77 ITK (0.40) ITKSYKAURKAAURKBEGFR
SCHEMBL4167995 0.77 TGFBR1 (0.43) ITKGSK3BSYKAURKBSRC
SCHEMBL4300039 0.76 RET (0.46) ITKGSK3BAURKAAURKBEGFR

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 ITK 951/4885GSK3A 437/4885GSK3B 356/4885

“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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