SCHEMBL2230711

SCHEMBL2230711

COc1cccc(-c2cc(C(C)(C)C)nc3[nH]nc(N)c23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.49
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
KDR P35968 1/20 0.47
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
TDO2 P48775 1/20 0.41
ADORA2A P29274 3/20 0.41
ADORA1 P30542 2/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
CDK1 P06493 1/20 0.40
SRC P12931 1/20 0.40
ABL2 P42684 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 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
SCHEMBL2202380 0.88 ALDH1A1 (0.46) BTKMKNK1MKNK2KDREGFR
SCHEMBL2204901 0.84 ALDH1A1 (0.39) BTKMKNK1MKNK2KDRABL1
SCHEMBL2198786 0.83 PIK3CD (0.40) MKNK1MKNK2KDRADORA1ABL1
SCHEMBL2818274 0.82 KDR (0.58) MKNK2KDRABL1CDK1SRC
SCHEMBL2816061 0.81 TP53 (0.53) BTKABL1KDM4EMEN1ALDH1A1
SCHEMBL2229794 0.81 BTK (0.51) BTKKDRSRC
SCHEMBL2229430 0.81 LRRK2 (0.42) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL2231538 0.80 DHFR (0.43) MKNK2KDRCDK1FYN
SCHEMBL2200569 0.80 PIK3CD (0.46) KDRABL1EGFRSRCKDM4E
SCHEMBL2816530 0.79 MAPT (0.50) MKNK2KDRCDK1MEN1ALDH1A1

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 BTK 42/4885MKNK1 279/4885MKNK2 191/4885

“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.