Sugi Predict

Sugi Predict / Compounds / SCHEMBL343261

SCHEMBL343261

SCHEMBL343261

CC(=O)N[C@H]1CC[C@@H](Cn2ncc3cnc(Nc4ccc(C)c(S(N)(=O)=O)c4)nc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.41
▸ JAK2 O60674 3/20 0.41
▸ TYK2 P29597 3/20 0.41
▸ CDK1 P06493 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CSNK2A1 P68400 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

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
SCHEMBL343262 1.00 SYK (0.41) SYKJAK2TYK2CDK1CDK2
SCHEMBL343711 0.91 JAK2 (0.41) SYKJAK2TYK2CDK1CDK2
SCHEMBL343712 0.91 JAK2 (0.41) SYKJAK2TYK2CDK1CDK2
SCHEMBL10167438 0.91 JAK2 (0.41) SYKJAK2TYK2CDK1CDK2
SCHEMBL10167369 0.90 SYK (0.40) SYKJAK2TYK2CDK1CDK2
SCHEMBL344726 0.88 CDK1 (0.42) SYKJAK2TYK2CDK1CDK2
SCHEMBL343043 0.88 MERTK (0.42) SYKJAK2TYK2CDK1CDK2
SCHEMBL343044 0.88 MERTK (0.42) SYKJAK2TYK2CDK1CDK2
SCHEMBL343868 0.88 CDK1 (0.41) SYKJAK2TYK2CDK1CDK2
SCHEMBL10167396 0.88 CDK1 (0.41) SYKJAK2TYK2CDK1CDK2

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 8 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 claimed
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
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
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 SYK 601/4885JAK2 217/4885TYK2 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.