Sugi Predict

Sugi Predict / Compounds / SCHEMBL4559658

SCHEMBL4559658

SCHEMBL4559658

C[C@H](O)CNc1nc(S(C)(=O)=O)nc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ CCNE1 P24864 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ DCUN1D1 Q96GG9 1/20 0.33
▸ CXCR2 P25025 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32

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
SCHEMBL4559659 1.00 MAPK14 (0.37) MAPK14L3MBTL1HSP90AA1CCNE1CDK2
SCHEMBL14019159 0.85 ABL1 (0.40) MAPK14L3MBTL1HSP90AA1DCUN1D1HSD11B1
SCHEMBL4020686 0.82 KMT2A (0.37) MAPK14HSP90AA1CCNE1CDK2CDK5
SCHEMBL4020677 0.82 KMT2A (0.37) MAPK14HSP90AA1CCNE1CDK2CDK5
SCHEMBL4020823 0.78 MAPK14 (0.42) MAPK14L3MBTL1HSP90AA1DCUN1D1HSD11B1
SCHEMBL13764859 0.78 GRM4 (0.41) MAPK14
SCHEMBL14018790 0.77 MAPK14 (0.33) MAPK14
SCHEMBL14018946 0.77 SCN9A (0.34) —
SCHEMBL4833086 0.77 SCN9A (0.34) —
SCHEMBL4842141 0.77 MAPK14 (0.33) MAPK14

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-7608603-B2 Substituted pyrazolo[3,4-D]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-27 — — US disclosed
US-7608603-B2 Substituted pyrazolo[3,4-D]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-27 — — US disclosed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 — — US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 — — US disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 — — US disclosed
US-20070049597-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 — — US disclosed
US-20070049597-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 — — US disclosed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 — — 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 (2 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-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 MAPK14 33/4885L3MBTL1 727/4885HSP90AA1 211/4885
US-20070049597-A1 p38 MAP kinase inhibitors and methods for using the same MAPK1, MAPK9, MAPK3 MAPK14 22/4885L3MBTL1 1754/4885HSP90AA1 1631/4885

“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.