SCHEMBL2202014

SCHEMBL2202014

Cc1ccc(-c2cc(C(C)(C)C)nc(Br)c2C#N)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.64
KDM4E B2RXH2 8/20 0.64
NPSR1 Q6W5P4 7/20 0.64
PPARG P37231 3/20 0.64
NCOA2 Q15596 2/20 0.64
NCOA1 Q15788 2/20 0.64
NCOA3 Q9Y6Q9 1/20 0.64
SQOR Q9Y6N5 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
ADORA1 P30542 3/20 0.47
ADORA2A P29274 2/20 0.47
ALDH1A1 P00352 9/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 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
SCHEMBL2202030 0.90 SQOR (0.53) HPGDKDM4ENPSR1PPARGNCOA2
SCHEMBL6255059 0.82 ADORA1 (0.64) HPGDKDM4ENPSR1PPARGNCOA2
SCHEMBL6252443 0.77 KDM4E (0.55) HPGDKDM4ENPSR1PPARGSQOR
SCHEMBL12430337 0.73 NPSR1 (0.35) HPGDKDM4ENPSR1PPARGNCOA2
SCHEMBL12430347 0.71 SQOR (0.41) HPGDKDM4ENPSR1PPARGNCOA2
SCHEMBL29442440 0.70 SQOR (1.00) HPGDKDM4ENPSR1SQORADORA1
SCHEMBL22208351 0.70 SQOR (1.00) HPGDKDM4ENPSR1SQORADORA1
SCHEMBL31120375 0.69 ADORA1 (0.78) HPGDKDM4ENPSR1PPARGNCOA2
SCHEMBL11365280 0.67 L3MBTL1 (0.76) HPGDKDM4ENPSR1PPARGNCOA2
SCHEMBL29649220 0.67 L3MBTL1 (1.00) HPGDKDM4ENPSR1PPARGNCOA2

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 HPGD 2273/4885KDM4E 1340/4885NPSR1 2199/4885

“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.