SCHEMBL342867

SCHEMBL342867

Cc1ccc(Nc2ccc(Nc3ncc4cnn(-c5ccccc5)c4n3)cc2)cc1S(N)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 7/20 0.48
GSK3B P49841 7/20 0.48
KDR P35968 6/20 0.48
CDK1 P06493 5/20 0.48
SRC P12931 4/20 0.48
AURKA O14965 4/20 0.48
PDPK1 O15530 3/20 0.48
JAK2 O60674 3/20 0.48
MAP4K4 O95819 3/20 0.48
EGFR P00533 3/20 0.48
NTRK1 P04629 3/20 0.48
PRKCG P05129 3/20 0.48
LCK P06239 3/20 0.48
FYN P06241 3/20 0.48
LYN P07948 3/20 0.48
RET P07949 3/20 0.48
ROS1 P08922 3/20 0.48
FGFR1 P11362 3/20 0.48
PHKG2 P15735 3/20 0.48
CDK2 P24941 3/20 0.48

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
SCHEMBL10167384 0.98 KDR (0.49) GSK3AGSK3BKDRCDK1SRC
SCHEMBL10167385 0.77 BTK (0.45) GSK3AGSK3BKDRCDK1SRC
SCHEMBL342357 0.75 AURKA (0.52) CDK1AURKAAURKBBTKCCNB1
SCHEMBL10167410 0.75 AURKA (0.52) CDK1AURKAAURKBBTKCCNB1
SCHEMBL10167393 0.75 EGFR (0.45) GSK3AGSK3BKDRCDK1SRC
SCHEMBL343811 0.74 AURKA (0.51) CDK1AURKAJAK2FGFR1CDK2
SCHEMBL15428704 0.74 CDK1 (0.48) GSK3AGSK3BKDRCDK1SRC
SCHEMBL15428705 0.74 CDK1 (0.48) GSK3AGSK3BKDRCDK1SRC
SCHEMBL343481 0.73 GSK3B (0.52) GSK3AGSK3BAURKAJAK2TYK2
SCHEMBL343043 0.72 MERTK (0.42) GSK3AGSK3BKDRCDK1SRC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 US claimed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 US claimed
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 US disclosed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 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-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS CHUK, MAP2K2, CDK3 GSK3A 759/4885GSK3B 573/4885KDR 3351/4885

“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.