SCHEMBL2200671

SCHEMBL2200671

COc1cc(O)cc(-c2cc(-c3ccncc3)nc3[nH]nc(N)c23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.41
BTK Q06187 1/20 0.40
GSK3B P49841 5/20 0.39
GSK3A P49840 1/20 0.39
DYRK1A Q13627 1/20 0.39
CDC7 O00311 4/20 0.38
ROCK2 O75116 4/20 0.38
MAP4K4 O95819 4/20 0.38
PIM1 P11309 4/20 0.38
PRKACA P17612 4/20 0.38
CDK2 P24941 4/20 0.38
HIPK2 Q9H2X6 4/20 0.38
CLK4 Q9HAZ1 4/20 0.38
IRAK4 Q9NWZ3 4/20 0.38
SGK1 O00141 3/20 0.38
MKNK2 Q9HBH9 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL2201274 0.92 ACHE (0.45) ACHEBTKGSK3BGSK3ADYRK1A
SCHEMBL2204901 0.81 ALDH1A1 (0.39) ACHEBTKSGK1MKNK2MKNK1
SCHEMBL2202555 0.81 PIK3CA (0.41) ACHEGSK3BDYRK1ACDC7ROCK2
SCHEMBL2207661 0.78 KIT (0.41) ACHEGSK3BGSK3AMAP4K4CDK2
SCHEMBL2198974 0.76 GSK3B (0.38) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL13329663 0.76 ACHE (0.52) ACHEBTKGSK3BCDC7MKNK2
SCHEMBL6115704 0.74 BTK (0.56) ACHEBTK
SCHEMBL2202380 0.73 ALDH1A1 (0.46) ACHEBTKSGK1MKNK2MKNK1
SCHEMBL1162895 0.72 ACHE (0.60) ACHEBTKMKNK2MKNK1KMT2A
SCHEMBL2202501 0.72 ACHE (0.47) ACHEBTKDYRK1AROCK2MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846402-B1 3-AMINO-PYRAZOLO[3,4B]PYRIDINES USED AS INHIBITORS OF PROTEIN TYROSINE KINASES FOR TREATING ANGIOGENIC, HYPERPROLIFERATIVE OR NEURODEGENERATIVE DISEASES BAYER IP GMBH (DE) 2014-02-26 EP 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-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
EP-1846402-A1 3-AMINO-PYRAZOLO[3,4B]PYRIDINES USED AS INHIBITORS OF PROTEIN TYROSINE KINASES FOR TREATING ANGIOGENIC, HYPERPROLIFERATIVE OR NEURODEGENERATIVE DISEASES Bayer Schering Pharma Aktiengesellschaft (DE) 2007-10-24 EP disclosed
WO-2006063805-A1 3-AMINO-PYRAZOLO[3,4B]PYRIDINES USED AS INHIBITORS OF PROTEIN TYROSINE KINASES FOR TREATING ANGIOGENIC, HYPERPROLIFERATIVE OR NEURODEGENERATIVE DISEASES BAYER SCHERING PHARMA AKTINGESELLSCHAFT (DE) 2006-06-22 WO 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 ACHE 3583/4885BTK 42/4885GSK3B 510/4885

“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.