Sugi Predict

Sugi Predict / Compounds / SCHEMBL2230458

SCHEMBL2230458

SCHEMBL2230458

CC(C)(C)c1cc(-c2ccc(C#N)cc2)c2c(N)n[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 1/20 0.39
▸ SGK1 O00141 4/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ MAP4K4 O95819 2/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ MINK1 Q8N4C8 1/20 0.34
▸ TNIK Q9UKE5 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ MARK3 P27448 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ LRRK2 Q5S007 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
SCHEMBL2816983 0.90 KDR (0.48) MAP4K4MINK1TNIKMARK3GSK3A
SCHEMBL2229430 0.87 LRRK2 (0.42) MAP4K4ADORA2AADORA1GSK3ALRRK2
SCHEMBL2228840 0.86 KDR (0.42) SGK1MAP4K4MINK1TNIKMARK3
SCHEMBL2821058 0.86 KDR (0.44) SQORSGK1MAP4K4MINK1MARK3
SCHEMBL2819455 0.81 KIT (0.54) MAP4K4MINK1MAPKAPK2MARK3GSK3A
SCHEMBL2821053 0.80 LTK (0.46) MAP4K4MAPKAPK2
SCHEMBL13329684 0.79 ADORA1 (0.50) ADORA2AADORA1LRRK2
SCHEMBL2229794 0.79 BTK (0.51) —
SCHEMBL2228242 0.79 DYRK1A (0.40) —
SCHEMBL2202237 0.77 ADORA2A (0.49) HSD11B1ADORA2AADORA1

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 SQOR 1563/4885SGK1 706/4885KIF11 3313/4885

“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.