SCHEMBL2203091

SCHEMBL2203091

Cc1ccc(-c2cc(C3CCC4(CC3)OCCO4)nc(S(=O)(=O)C(F)(F)F)c2C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
GAA P10253 4/20 0.38
KDM4E B2RXH2 11/20 0.37
NPSR1 Q6W5P4 10/20 0.37
HTT P42858 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
HPGD P15428 10/20 0.36
ALDH1A1 P00352 10/20 0.36
KMT2A Q03164 6/20 0.36
MAPT P10636 6/20 0.36
MEN1 O00255 3/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 2/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL2201789 0.87 KMT2A (0.40) ADORA2AADORA1GAAKDM4ENPSR1
SCHEMBL12430391 0.86 GAA (0.39) ADORA2AADORA1GAAKDM4ENPSR1
SCHEMBL12430415 0.75 KMT2A (0.40) ADORA2AADORA1GAAKDM4ENPSR1
SCHEMBL2204551 0.72 POLB (0.43) GAAKDM4EL3MBTL1HPGDALDH1A1
SCHEMBL12430374 0.71 ADORA2A (0.43) ADORA2AADORA1GAAKDM4ENPSR1
SCHEMBL2198844 0.67 SQOR (0.36) ADORA2AADORA1GAAKDM4ENPSR1
SCHEMBL2230446 0.66 TRPV3 (0.36) ADORA2AADORA1GAAKDM4ENPSR1
SCHEMBL29118667 0.64 ALDH1A1 (0.43) ADORA2AGAAKDM4ENPSR1HTT
SCHEMBL2816637 0.63 ADORA2A (0.53) ADORA2AADORA1GAAKDM4ENPSR1
SCHEMBL10029765 0.63 ALDH1A1 (0.69) GAAKDM4ENPSR1HTTL3MBTL1

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 985/4885GAA 1221/4885

“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.