SCHEMBL4175191

SCHEMBL4175191

COc1cc(Cl)ccc1-c1ncc(Nc2cc(C)[nH]n2)nc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 6/20 0.45
▸ CHEK2 O96017 2/20 0.45
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ AURKA O14965 6/20 0.40
▸ AURKB Q96GD4 3/20 0.40
▸ NPC1 O15118 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ AGPAT2 O15120 2/20 0.36
▸ SRC P12931 2/20 0.36

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
SCHEMBL4173931 0.87 MEN1 (0.43) HSP90AB1MEN1HTTKMT2AHSD17B10
SCHEMBL4164963 0.87 MEN1 (0.49) HSP90AA1HSP90AB1MEN1HTTKMT2A
SCHEMBL4171771 0.85 MEN1 (0.42) MEN1HTTKMT2AHSD17B10AURKA
SCHEMBL4171086 0.81 NPC1 (0.41) MEN1HTTKMT2AHSD17B10AURKA
SCHEMBL4179012 0.81 MEN1 (0.46) MEN1HTTKMT2AHSD17B10AURKA
SCHEMBL4162005 0.79 JAK2 (0.39) CHEK1CHEK2MEN1HTTKMT2A
SCHEMBL4298197 0.79 DHFR (0.46) AURKAAURKBNPC1GAARAB9A
SCHEMBL4300039 0.77 RET (0.46) MEN1KMT2AAURKAAURKBGAA
SCHEMBL4171497 0.75 TNIK (0.45) AURKAAURKBJAK2JAK3
SCHEMBL4168909 0.75 IKBKB (0.46) MEN1HTTKMT2AHSD17B10AURKA

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 CHEK1 61/4885CHEK2 31/4885HSP90AA1 2221/4885

“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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