Sugi Predict

Sugi Predict / Compounds / SCHEMBL2229430

SCHEMBL2229430

SCHEMBL2229430

CC(C)(C)c1cc(-c2cccc(C#N)c2)c2c(N)n[nH]c2n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 8/20 0.42
▸ MAP4K4 O95819 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ ADORA2A P29274 2/20 0.39
▸ XDH P47989 1/20 0.39
▸ NTRK1 P04629 2/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ USP7 Q93009 1/20 0.37

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
SCHEMBL2230458 0.87 SQOR (0.39) LRRK2MAP4K4GSK3AADORA2AADORA1
SCHEMBL2819455 0.83 KIT (0.54) MAP4K4GSK3ANTRK1MEN1MAPT
SCHEMBL2198786 0.82 PIK3CD (0.40) LRRK2MAP4K4PIK3CAADORA1
SCHEMBL2230711 0.81 BTK (0.49) ADORA2AADORA1MEN1MAPTKMT2A
SCHEMBL13329685 0.80 XDH (0.49) LRRK2ADORA2AXDHADORA1IDO1
SCHEMBL2231538 0.79 DHFR (0.43) LRRK2MAP4K4
SCHEMBL2816983 0.78 KDR (0.48) MAP4K4GSK3ANTRK1
SCHEMBL2821058 0.78 KDR (0.44) LRRK2MAP4K4GSK3ANTRK1LMNA
SCHEMBL2228840 0.78 KDR (0.42) MAP4K4NTRK1PIK3CAMEN1KMT2A
SCHEMBL2203347 0.74 JAK2 (0.31) —

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977325-B2 3-amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2011-07-12 — — US disclosed
US-7977325-B2 3-amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2011-07-12 — — US disclosed
US-7977325-B2 3-amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2011-07-12 — — US disclosed
US-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents GENESYS CLOUD SERVICES, INC. 2009-01-29 — — US disclosed
US-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents GENESYS CLOUD SERVICES, INC. 2009-01-29 — — US disclosed
US-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents GENESYS CLOUD SERVICES, INC. 2009-01-29 — — 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-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents MAP4K2, ABL1, MAP4K3 LRRK2 284/4885MAP4K4 29/4885GSK3A 323/4885

“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.