SCHEMBL2200855

SCHEMBL2200855

Nc1n[nH]c2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.53
ADORA1 P30542 2/20 0.53
ACHE P22303 4/20 0.51
MKNK1 Q9BUB5 2/20 0.51
MKNK2 Q9HBH9 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TLR9 Q9NR96 1/20 0.48
AURKA O14965 1/20 0.48
PDPK1 O15530 1/20 0.48
TGFBR1 P36897 1/20 0.48
AURKB Q96GD4 1/20 0.48
MAP4K4 O95819 1/20 0.46
GRM5 P41594 1/20 0.46
AGPAT2 O15120 1/20 0.45
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
BTK Q06187 2/20 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
SCHEMBL13329688 1.00 ADORA2A (0.53) ADORA2AADORA1ACHEMKNK1MKNK2
SCHEMBL13329661 0.92 ACHE (0.59) ADORA2AADORA1ACHEMKNK1MKNK2
SCHEMBL29649199 0.92 ACHE (0.59) ADORA2AADORA1ACHEMKNK1MKNK2
SCHEMBL13329692 0.88 MKNK1 (0.47) ADORA2AADORA1ACHEMKNK1MKNK2
SCHEMBL2230496 0.86 KDM4E (0.57) ADORA2AADORA1ACHEMKNK1MKNK2
SCHEMBL13329663 0.85 ACHE (0.52) ADORA2AADORA1ACHEMKNK1MKNK2
SCHEMBL6116586 0.84 BTK (0.61) ACHEMKNK1MKNK2KMT2ABTK
SCHEMBL13329694 0.84 JAK2 (0.47) ADORA2AADORA1ACHEMKNK1MKNK2
SCHEMBL13329684 0.83 ADORA1 (0.50) ADORA2AADORA1ACHEMKNK1MKNK2
SCHEMBL13329699 0.81 ADORA2A (0.49) ADORA2AADORA1ACHEMKNK1MKNK2

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-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 ADORA2A 951/4885ADORA1 985/4885ACHE 3583/4885

“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.