SCHEMBL2201233

SCHEMBL2201233

CC(C)(C)c1cc(-c2ccc(OCc3ccccc3)cc2)c(C#N)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.51
PIM1 P11309 6/20 0.48
ATM Q13315 1/20 0.46
MAOB P27338 2/20 0.45
SQOR Q9Y6N5 1/20 0.45
FFAR1 O14842 1/20 0.44
AKR1B1 P15121 1/20 0.44
NSD2 O96028 1/20 0.44
AS3MT Q9HBK9 1/20 0.44
MET P08581 1/20 0.44
KDR P35968 1/20 0.44
GRM2 Q14416 1/20 0.44
MAOA P21397 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL2200660 0.85 ATM (0.51) GSTP1PIM1ATMMETKDR
SCHEMBL15492448 0.83 ATM (0.64) PIM1ATMMETKDRKDM4E
SCHEMBL2199412 0.80 KDM4E (0.54) PIM1ATMMETKDRKDM4E
SCHEMBL2198100 0.77 GLA (0.54) PIM1ATMMETKDRKDM4E
SCHEMBL2200987 0.77 ATM (0.47) GSTP1PIM1ATMMETKDR
SCHEMBL2818322 0.75 MET (0.71) PIM1ATMMETKDR
SCHEMBL2202333 0.75 ATM (0.47) GSTP1PIM1ATMMETKDR
SCHEMBL2201226 0.74 KDM4E (0.50) PIM1ATMKDM4EMEN1MAPT
SCHEMBL2201639 0.74 KDM4E (0.57) PIM1KDM4EMEN1MAPTKMT2A
SCHEMBL2202978 0.73 PIM1 (0.50) PIM1ATMKDM4EMEN1MAPT

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 7 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

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 GSTP1 4058/4885PIM1 507/4885ATM 314/4885

“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.