SCHEMBL2201873

SCHEMBL2201873

COc1ccc(-c2cc(C(C)(C)C)[nH]c(=O)c2C#N)cc1O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 8/20 0.50
KDM4E B2RXH2 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GLA P06280 3/20 0.48
GAA P10253 3/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.45
MET P08581 1/20 0.42
KDR P35968 1/20 0.42
BIRC5 O15392 2/20 0.41
CYP1A1 P04798 1/20 0.41
GUSB P08236 1/20 0.41
CYP1B1 Q16678 1/20 0.41
EGFR P00533 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
SCHEMBL2201387 0.85 MEN1 (0.53) PIM1KDM4EMEN1KMT2AALDH1A1
SCHEMBL2200572 0.84 KDM4E (0.50) PIM1KDM4EMEN1KMT2AALDH1A1
SCHEMBL2202976 0.80 PIM1 (0.50) PIM1KDM4EMEN1KMT2AALDH1A1
SCHEMBL2201639 0.79 KDM4E (0.57) PIM1KDM4EMEN1KMT2AALDH1A1
SCHEMBL2199168 0.79 KDM4E (0.55) PIM1KDM4EMEN1KMT2AALDH1A1
SCHEMBL2202978 0.78 PIM1 (0.50) PIM1KDM4EMEN1KMT2AALDH1A1
SCHEMBL2200567 0.78 KDM4E (0.51) PIM1KDM4EMEN1KMT2AALDH1A1
SCHEMBL2199412 0.77 KDM4E (0.54) PIM1KDM4EMEN1KMT2AALDH1A1
SCHEMBL2198100 0.77 GLA (0.54) PIM1KDM4EMEN1KMT2AALDH1A1
SCHEMBL15492448 0.76 ATM (0.64) PIM1KDM4EMEN1KMT2AALDH1A1

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 PIM1 507/4885KDM4E 1340/4885MEN1 1704/4885

“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.