SCHEMBL4167056

SCHEMBL4167056

CCN1CCc2ccc(-c3ncc(Nc4cc(C)[nH]n4)nc3N)cc2C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ TLR7 Q9NYK1 2/20 0.36
▸ RET P07949 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ AURKA O14965 3/20 0.35
▸ EGFR P00533 2/20 0.35
▸ ITK Q08881 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ CDK1 P06493 5/20 0.34
▸ CDK4 P11802 5/20 0.34
▸ CCNB1 P14635 5/20 0.34
▸ CCNE1 P24864 5/20 0.34
▸ BTK Q06187 1/20 0.33

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
SCHEMBL4178004 0.89 EGFR (0.40) CHEK1RETAURKBAURKAEGFR
SCHEMBL4167808 0.84 ITK (0.40) RETAURKBAURKAEGFRITK
SCHEMBL4160445 0.81 REN (0.37) RETAURKBAURKAEGFRITK
SCHEMBL4168982 0.80 ITK (0.39) RETAURKBAURKAEGFRITK
SCHEMBL13663579 0.78 AURKB (0.40) MAP4K1RETAURKBAURKACDK1
SCHEMBL4173840 0.77 JAK2 (0.40) RETAURKBAURKAEGFRITK
SCHEMBL4167343 0.76 ITK (0.41) RETAURKBAURKAITK
SCHEMBL4169624 0.76 ITK (0.43) AURKBAURKAITKNTRK1
SCHEMBL4168909 0.74 IKBKB (0.46) RETAURKBAURKAITKNTRK1
SCHEMBL4303875 0.74 JAK2 (0.49) RETAURKBAURKAITKNTRK1

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 MAP4K1 48/4885CHEK1 61/4885ACHE 1202/4885

“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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