SCHEMBL10167396

SCHEMBL10167396

Cc1ccc(Nc2ncc3cnn(C[C@H]4CC[C@@H](C)CC4)c3n2)cc1S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 13/20 0.41
AURKA O14965 12/20 0.41
CDK2 P24941 3/20 0.41
JAK2 O60674 3/20 0.41
TYK2 P29597 3/20 0.41
PLK4 O00444 2/20 0.41
MAP4K4 O95819 2/20 0.41
LCK P06239 2/20 0.41
FYN P06241 2/20 0.41
CSF1R P07333 2/20 0.41
LYN P07948 2/20 0.41
RET P07949 2/20 0.41
ROS1 P08922 2/20 0.41
KIT P10721 2/20 0.41
FGFR1 P11362 2/20 0.41
SRC P12931 2/20 0.41
FLT1 P17948 2/20 0.41
FGFR3 P22607 2/20 0.41
MARK3 P27448 2/20 0.41
FLT4 P35916 2/20 0.41

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
SCHEMBL343043 0.93 MERTK (0.42) CDK1AURKACDK2JAK2TYK2
SCHEMBL343867 0.93 CDK1 (0.41) CDK1AURKACDK2JAK2TYK2
SCHEMBL343044 0.93 MERTK (0.42) CDK1AURKACDK2JAK2TYK2
SCHEMBL343868 0.93 CDK1 (0.41) CDK1AURKACDK2JAK2TYK2
SCHEMBL344726 0.90 CDK1 (0.42) CDK1AURKACDK2JAK2TYK2
SCHEMBL15428699 0.89 CDK1 (0.41) CDK1AURKACDK2JAK2TYK2
SCHEMBL343261 0.88 SYK (0.41) CDK1AURKACDK2JAK2TYK2
SCHEMBL343262 0.88 SYK (0.41) CDK1AURKACDK2JAK2TYK2
SCHEMBL15428702 0.87 CDK1 (0.41) CDK1AURKACDK2JAK2TYK2
SCHEMBL342956 0.85 CDK1 (0.39) CDK1AURKACDK2JAK2TYK2

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 2 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-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 CDK1 10/4885AURKA 784/4885CDK2 6/4885

“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.