SCHEMBL2231538

SCHEMBL2231538

CC(=O)c1cccc(-c2cc(C(C)(C)C)nc3[nH]nc(N)c23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.43
KDR P35968 10/20 0.42
FYN P06241 2/20 0.41
GPR68 Q15743 1/20 0.40
SYK P43405 2/20 0.40
PLK4 O00444 1/20 0.40
DCLK1 O15075 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
CHEK2 O96017 1/20 0.40
INSR P06213 1/20 0.40
CDK1 P06493 1/20 0.40
FES P07332 1/20 0.40
ROS1 P08922 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
FER P16591 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL2198786 0.84 PIK3CD (0.40) KDRFYNPLK4ROCK2PRKD3
SCHEMBL2821053 0.81 LTK (0.46) KDRFYNMAP4K4CHEK2LTK
SCHEMBL2230711 0.80 BTK (0.49) KDRFYNCDK1MKNK2
SCHEMBL2229430 0.79 LRRK2 (0.42) MAP4K4LRRK2
SCHEMBL2816521 0.78 KIT (0.51) KDRFYNPLK4ROCK2PRKD3
SCHEMBL2821071 0.78 KDR (0.54) KDRFYNPLK4DCLK1ROCK2
SCHEMBL2821058 0.77 KDR (0.44) DHFRKDRPLK4ROCK2PRKD3
SCHEMBL2228840 0.77 KDR (0.42) KDRPLK4ROCK2PRKD3MAP4K4
SCHEMBL2816084 0.77 KDR (0.66) KDRFYNPLK4ROCK2PRKD3
SCHEMBL2819284 0.76 KDR (0.58) KDRFYNPLK4DCLK1ROCK2

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 DHFR 1003/4885KDR 675/4885FYN 88/4885

“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.