SCHEMBL10167385

SCHEMBL10167385

Cc1ccc(Nc2ncc3cn(-c4ccccc4)nc3n2)cc1S(N)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.45
KDR P35968 7/20 0.44
JAK3 P52333 5/20 0.44
LYN P07948 5/20 0.44
SYK P43405 5/20 0.44
AURKA O14965 4/20 0.44
JAK2 O60674 4/20 0.44
MAP4K4 O95819 4/20 0.44
LCK P06239 4/20 0.44
FYN P06241 4/20 0.44
RET P07949 4/20 0.44
ROS1 P08922 4/20 0.44
FGFR1 P11362 4/20 0.44
SRC P12931 4/20 0.44
MARK3 P27448 4/20 0.44
TYK2 P29597 4/20 0.44
FLT4 P35916 4/20 0.44
FRK P42685 4/20 0.44
MAPK9 P45984 4/20 0.44
IRAK1 P51617 4/20 0.44

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 0.78 KDR (0.49) BTKKDRJAK3LYNSYK
SCHEMBL342867 0.77 GSK3A (0.48) BTKKDRJAK3LYNSYK
SCHEMBL3998391 0.70 SYK (0.71) BTKKDRJAK3LYNSYK
SCHEMBL16034205 0.69 USP2 (0.45) BTKKDRJAK3LYNSYK
SCHEMBL4007197 0.68 AURKA (0.67) BTKKDRJAK3LYNSYK
SCHEMBL23587676 0.67 KDR (0.66) BTKKDRJAK3LYNSYK
SCHEMBL1474714 0.67 JAK3 (0.55) BTKKDRJAK3LYNSYK
SCHEMBL1474523 0.67 JAK3 (0.54) BTKKDRJAK3LYNSYK
SCHEMBL31299816 0.67 CDK2 (0.42) KDRJAK3SYKJAK2MARK3
SCHEMBL9277964 0.67 BTK (0.59) BTKKDRJAK3LYNSYK

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
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 US disclosed
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
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 US disclosed
WO-2011156698-A2 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2011-12-15 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-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS CHUK, MAP2K2, CDK3 BTK 714/4885KDR 3351/4885JAK3 82/4885

“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.