SCHEMBL2202173

SCHEMBL2202173

CC(C)c1cc(-c2ccc3c(c2)OCO3)[nH]c(=O)c1C#N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.54
TBK1 Q9UHD2 1/20 0.49
PIM1 P11309 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
PDE10A Q9Y233 1/20 0.45
KDM4E B2RXH2 6/20 0.43
MAPT P10636 5/20 0.43
HSD17B10 Q99714 5/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.43
HPGD P15428 4/20 0.43
ALOX15 P16050 3/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 3/20 0.43
ALOX12 P18054 2/20 0.43
HTT P42858 2/20 0.43
GAA P10253 5/20 0.42
ADORA1 P30542 4/20 0.42
ADORA2A P29274 3/20 0.42
GLA P06280 2/20 0.42

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
SCHEMBL15452765 0.77 KDM4E (0.70) BCL2L1TBK1PIM1PDE10AKDM4E
SCHEMBL9526335 0.74 KDM4E (0.51) BCL2L1TBK1PIM1PDE10AKDM4E
SCHEMBL2201936 0.72 KDM4E (0.49) KDM4EMAPTHSD17B10ALDH1A1KMT2A
SCHEMBL15660868 0.71 TBK1 (0.45) BCL2L1TBK1PIM1PDE10AKDM4E
SCHEMBL6380267 0.69 HSD17B10 (0.49) BCL2L1PDE10AKDM4EMAPTHSD17B10
SCHEMBL3592589 0.68 KDM4E (0.67) PIM1KDM4EMAPTALDH1A1KMT2A
SCHEMBL23920044 0.68 KDM4E (0.39) KDM4EHSD17B10ALDH1A1KMT2AHPGD
SCHEMBL13277489 0.68 KDM4E (0.54) KDM4EMAPTHSD17B10ALDH1A1KMT2A
SCHEMBL13946165 0.68 TBK1 (0.56) BCL2L1TBK1PIM1KDM4EMAPT
SCHEMBL5919167 0.66 PRKAG1 (0.62) BCL2L1TBK1PIM1KDM4EMAPT

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 BCL2L1 3827/4885TBK1 567/4885PIM1 507/4885

“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.