SCHEMBL4176247

SCHEMBL4176247

Cc1cc(Nc2cnc(-c3ccc4c(c3)OCO4)c(N)n2)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.45
▸ AURKB Q96GD4 2/20 0.45
▸ DYRK1A Q13627 3/20 0.43
▸ MAP2K4 P45985 3/20 0.43
▸ CLK4 Q9HAZ1 3/20 0.43
▸ DYRK1B Q9Y463 2/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ JAK2 O60674 2/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ MAPKAPK2 P49137 2/20 0.43
▸ MAPKAPK3 Q16644 2/20 0.43
▸ MAPK6 Q16659 2/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ PAK4 O96013 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ NTRK1 P04629 1/20 0.43

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
SCHEMBL4169624 0.82 ITK (0.43) AURKAAURKBGSK3BJAK2JAK3
SCHEMBL4167808 0.81 ITK (0.40) AURKAAURKBJAK2JAK3NTRK1
SCHEMBL4168909 0.80 IKBKB (0.46) AURKAAURKBJAK2JAK3PAK4
SCHEMBL4179012 0.80 MEN1 (0.46) AURKAGSK3BJAK2JAK3PAK4
SCHEMBL4303875 0.80 JAK2 (0.49) AURKAAURKBGSK3BJAK2JAK3
SCHEMBL4168982 0.80 ITK (0.39) AURKAAURKBGSK3BJAK2JAK3
SCHEMBL4169281 0.79 MEN1 (0.43) AURKAAURKBGSK3BJAK2JAK3
SCHEMBL4179956 0.79 JAK2 (0.43) AURKAAURKBJAK2JAK3PAK4
SCHEMBL4167995 0.78 TGFBR1 (0.43) AURKBDYRK1ACLK4GSK3BJAK2
SCHEMBL4300039 0.78 RET (0.46) AURKAAURKBDYRK1AGSK3BRET

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 AURKA 408/4885AURKB 322/4885DYRK1A 1778/4885

“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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