SCHEMBL2198100

SCHEMBL2198100

Cc1ccc(-c2cc(C(C)(C)C)[nH]c(=O)c2C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 4/20 0.54
GAA P10253 4/20 0.54
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 4/20 0.54
HPGD P15428 3/20 0.54
PIM1 P11309 7/20 0.52
ATM Q13315 2/20 0.51
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
APEX1 P27695 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MET P08581 1/20 0.50
KDR P35968 1/20 0.50
PDE9A O76083 3/20 0.46
PDE1C Q14123 1/20 0.46
TP53 P04637 1/20 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
SCHEMBL2199412 0.89 KDM4E (0.54) GLAGAAALDH1A1KDM4EHPGD
SCHEMBL15492448 0.87 ATM (0.64) GLAGAAALDH1A1KDM4EHPGD
SCHEMBL2204614 0.87 PIM1 (0.51) GLAGAAALDH1A1KDM4EHPGD
SCHEMBL2201918 0.87 PIM1 (0.48) GLAGAAALDH1A1KDM4EHPGD
SCHEMBL2203894 0.83 KDR (0.53) GLAGAAALDH1A1KDM4EHPGD
SCHEMBL2200660 0.82 ATM (0.51) GLAGAAALDH1A1KDM4EHPGD
SCHEMBL2199168 0.81 KDM4E (0.55) GLAGAAALDH1A1KDM4EHPGD
SCHEMBL2201226 0.80 KDM4E (0.50) GLAGAAALDH1A1KDM4EHPGD
SCHEMBL2199682 0.79 PIM1 (0.42) GLAGAAALDH1A1KDM4EHPGD
SCHEMBL2202978 0.79 PIM1 (0.50) GLAGAAALDH1A1KDM4EHPGD

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 5 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

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 GLA 1658/4885GAA 1221/4885ALDH1A1 2786/4885

“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.