SCHEMBL342955

SCHEMBL342955

Cc1ccc(Nc2ncc3cnn(CC4CCC(C(NC(=O)O)C(C)(C)C)CC4)c3n2)cc1S(N)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 11/20 0.39
AURKA O14965 10/20 0.39
JAK2 O60674 3/20 0.39
TYK2 P29597 3/20 0.39
CDK2 P24941 2/20 0.39
JAK3 P52333 2/20 0.39
SYK P43405 2/20 0.39
AURKB Q96GD4 2/20 0.39
PLK4 O00444 1/20 0.39
PDPK1 O15530 1/20 0.39
DAPK3 O43293 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
CHEK2 O96017 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
NTRK1 P04629 1/20 0.39
PRKCG P05129 1/20 0.39
INSR P06213 1/20 0.39
LCK P06239 1/20 0.39

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
SCHEMBL343817 0.90 CDK2 (0.44) CDK1AURKAJAK2TYK2CDK2
SCHEMBL15428699 0.86 CDK1 (0.41) CDK1AURKAJAK2TYK2CDK2
SCHEMBL344726 0.85 CDK1 (0.42) CDK1AURKAJAK2TYK2CDK2
SCHEMBL343868 0.85 CDK1 (0.41) CDK1AURKAJAK2TYK2CDK2
SCHEMBL343867 0.85 CDK1 (0.41) CDK1AURKAJAK2TYK2CDK2
SCHEMBL343043 0.85 MERTK (0.42) CDK1AURKAJAK2TYK2CDK2
SCHEMBL343044 0.85 MERTK (0.42) CDK1AURKAJAK2TYK2CDK2
SCHEMBL10167396 0.85 CDK1 (0.41) CDK1AURKAJAK2TYK2CDK2
SCHEMBL342942 0.84 CDK1 (0.39) CDK1AURKAJAK2TYK2CDK2
SCHEMBL342943 0.84 CDK1 (0.39) CDK1AURKAJAK2TYK2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 784/4885JAK2 217/4885

“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.