SCHEMBL343818

SCHEMBL343818

CC(C)(C)N(C[C@H]1CC[C@H](Cn2ncc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)CC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.46
CDK1 P06493 10/20 0.46
CDK5 Q00535 6/20 0.46
AURKA O14965 4/20 0.46
DCLK1 O15075 4/20 0.46
AURKB Q96GD4 4/20 0.46
EGFR P00533 4/20 0.46
JAK3 P52333 4/20 0.46
KDR P35968 4/20 0.46
PDPK1 O15530 3/20 0.46
JAK2 O60674 3/20 0.46
ROCK2 O75116 3/20 0.46
MAP4K4 O95819 3/20 0.46
NTRK1 P04629 3/20 0.46
PRKCG P05129 3/20 0.46
LCK P06239 3/20 0.46
FYN P06241 3/20 0.46
LYN P07948 3/20 0.46
RET P07949 3/20 0.46
IGF1R P08069 3/20 0.46

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
SCHEMBL15428785 1.00 CDK2 (0.46) CDK2CDK1CDK5AURKADCLK1
SCHEMBL342956 0.89 CDK1 (0.39) CDK2CDK1CDK5AURKAAURKB
SCHEMBL15428718 0.87 CDK2 (0.47) CDK2CDK1CDK5AURKADCLK1
SCHEMBL15428717 0.84 CDK1 (0.49) CDK2CDK1CDK5AURKADCLK1
SCHEMBL343817 0.84 CDK2 (0.44) CDK2CDK1CDK5AURKADCLK1
SCHEMBL16512899 0.83 CDK2 (0.43) CDK2CDK1CDK5AURKADCLK1
SCHEMBL10207537 0.83 CDK2 (0.43) CDK2CDK1CDK5AURKADCLK1
SCHEMBL344026 0.81 JAK1 (0.42) AURKAJAK3JAK2TYK2LRRK2
SCHEMBL343919 0.80 AURKA (0.38) CDK2CDK1CDK5AURKADCLK1
SCHEMBL343335 0.80 AURKA (0.43) CDK1AURKAJAK3CSF1RCCNB1

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-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

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 CDK2 6/4885CDK1 10/4885CDK5 76/4885

“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.