SCHEMBL4170524

SCHEMBL4170524

COCc1cc(-c2ncc(Nc3cc(C)[nH]n3)nc2N)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PLK4 O00444 2/20 0.37
▸ PAK4 O96013 2/20 0.37
▸ PIK3C3 Q8NEB9 1/20 0.36
▸ ITK Q08881 1/20 0.36
▸ RET P07949 7/20 0.36
▸ AURKA O14965 2/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ JAK3 P52333 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
SCHEMBL4182702 0.90 KIT (0.40) PIK3C3ITKRETAURKAFGFR1
SCHEMBL4302253 0.86 DHODH (0.37) PIK3C3ITKRETJAK2NTRK1
SCHEMBL4168909 0.85 IKBKB (0.46) MEN1HTTKMT2AHSD17B10PLK4
SCHEMBL4171086 0.85 NPC1 (0.41) MEN1HTTKMT2AHSD17B10PLK4
SCHEMBL4169281 0.84 MEN1 (0.43) MEN1HTTKMT2AHSD17B10PLK4
SCHEMBL4168663 0.83 AURKB (0.43) MEN1HTTKMT2AHSD17B10PLK4
SCHEMBL4165767 0.81 MGAM (0.44) PLK4PAK4PIK3C3ITKRET
SCHEMBL4179012 0.81 MEN1 (0.46) MEN1HTTKMT2AHSD17B10PLK4
SCHEMBL4166686 0.80 DHODH (0.40) MEN1HTTKMT2AHSD17B10PLK4
SCHEMBL4161611 0.79 IGF1R (0.40) MEN1HTTKMT2AHSD17B10ITK

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 MEN1 3321/4885HTT 1548/4885KMT2A 844/4885

“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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