SCHEMBL4160445

SCHEMBL4160445

CCN1CCCc2ccc(-c3ncc(Nc4cc(C)[nH]n4)nc3N)cc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 8/20 0.37
▸ CYP3A4 P08684 4/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ IGF1R P08069 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ AURKA O14965 3/20 0.34
▸ RET P07949 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ NTRK1 P04629 1/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ ITK Q08881 1/20 0.33
▸ AURKB Q96GD4 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
SCHEMBL4167808 0.84 ITK (0.40) IGF1REGFRAURKARETNTRK1
SCHEMBL4167056 0.81 MAP4K1 (0.37) HRH3EGFRAURKARETNTRK1
SCHEMBL4178004 0.79 EGFR (0.40) EGFRAURKARETNTRK1ITK
SCHEMBL13663578 0.79 JAK2 (0.39) FGFR4AURKAAURKB
SCHEMBL4171713 0.78 IGF1R (0.40) IGF1REGFRAURKANTRK1ITK
SCHEMBL4168982 0.77 ITK (0.39) IGF1REGFRAURKARETNTRK1
SCHEMBL4173840 0.76 JAK2 (0.40) IGF1REGFRAURKARETNTRK1
SCHEMBL4167343 0.75 ITK (0.41) AURKARETITKAURKB
SCHEMBL4169624 0.75 ITK (0.43) IGF1RAURKANTRK1ITKAURKB
SCHEMBL4168909 0.73 IKBKB (0.46) AURKARETNTRK1ITKAURKB

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 2 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

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 REN 2956/4885CYP3A4 3067/4885HRH3 1737/4885

“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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