SCHEMBL10207354

SCHEMBL10207354

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ TYK2 P29597 2/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ PAK4 O96013 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ PRKCG P05129 1/20 0.41
▸ INSR P06213 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ LYN P07948 1/20 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
SCHEMBL10167369 0.92 SYK (0.40) JAK2JAK3TYK2PLK4AURKA
SCHEMBL15428699 0.91 CDK1 (0.41) JAK2JAK3TYK2PLK4AURKA
SCHEMBL16512899 0.89 CDK2 (0.43) JAK2JAK3TYK2PLK4AURKA
SCHEMBL10207537 0.89 CDK2 (0.43) JAK2JAK3TYK2PLK4AURKA
SCHEMBL344726 0.86 CDK1 (0.42) JAK2JAK3TYK2PLK4AURKA
SCHEMBL10167350 0.85 ACACB (0.40) ACACBACACADRD2CKS1BSKP1
SCHEMBL343043 0.85 MERTK (0.42) JAK2JAK3TYK2PLK4AURKA
SCHEMBL343044 0.85 MERTK (0.42) JAK2JAK3TYK2PLK4AURKA
SCHEMBL343868 0.85 CDK1 (0.41) JAK2JAK3TYK2PLK4AURKA
SCHEMBL10167396 0.85 CDK1 (0.41) JAK2JAK3TYK2PLK4AURKA

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 3 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
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 JAK2 217/4885JAK3 82/4885TYK2 344/4885

“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.

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