SCHEMBL2199225

SCHEMBL2199225

Nc1n[nH]c2nc(C3CC3)cc(-c3cccc(O)c3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.41
CHEK1 O14757 1/20 0.41
CCNA2 P20248 1/20 0.41
CCNA1 P78396 1/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
MYLK Q15746 1/20 0.40
MARK1 Q9P0L2 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39

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
SCHEMBL2202498 0.94 CDK2 (0.43) CDK2CHEK1CCNA2CCNA1GSK3A
SCHEMBL2202501 0.83 ACHE (0.47) MAPTMEN1KMT2APIK3CDPIK3CA
SCHEMBL2197824 0.81 LMNA (0.47) CDK2KDM4EALDH1A1MAPTMEN1
SCHEMBL2202555 0.80 PIK3CA (0.41) CDK2GSK3BPIK3CDPIK3CAPIK3CB
SCHEMBL2200623 0.80 IKBKB (0.42) KDM4EALDH1A1MAPTMEN1HPGD
SCHEMBL2204274 0.79 MAPT (0.51) KDM4EALDH1A1MAPTMEN1HPGD
SCHEMBL2198786 0.77 PIK3CD (0.40) CDK2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2207661 0.77 KIT (0.41) CDK2GSK3AGSK3BMYLKMARK1
SCHEMBL2201444 0.76 ADORA2A (0.41) CDK2CCNA1KDM4EALDH1A1MAPT
SCHEMBL2202237 0.76 ADORA2A (0.49) CDK2CCNA2GSK3BKDM4EALDH1A1

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-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 CDK2 55/4885CHEK1 473/4885CCNA2 424/4885

“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.