Sugi Predict

Sugi Predict / Compounds / SCHEMBL1655231

SCHEMBL1655231

SCHEMBL1655231

CC(C)Oc1ccc(Nc2ncc3ccn(-c4ccc(S(C)(=O)=O)cc4)c3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 5/20 0.54
▸ CDK4 P11802 4/20 0.54
▸ JAK2 O60674 8/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.52
▸ PTK2 Q05397 5/20 0.51
▸ KDR P35968 3/20 0.51
▸ DAPK3 O43293 2/20 0.51
▸ PAK4 O96013 2/20 0.51
▸ NTRK1 P04629 2/20 0.51
▸ LCK P06239 2/20 0.51
▸ FYN P06241 2/20 0.51
▸ CSF1R P07333 2/20 0.51
▸ RET P07949 2/20 0.51
▸ IGF1R P08069 2/20 0.51
▸ FGFR1 P11362 2/20 0.51
▸ PRKACA P17612 2/20 0.51
▸ MAPK8 P45983 2/20 0.51
▸ MAPK9 P45984 2/20 0.51
▸ CLK2 P49760 2/20 0.51
▸ RPS6KA3 P51812 2/20 0.51

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
SCHEMBL1654524 0.89 PTK2 (0.64) AURKACDK4JAK2HDAC6PTK2
SCHEMBL13756692 0.86 PTK2 (0.53) AURKACDK4JAK2PTK2KDR
SCHEMBL1657524 0.84 AURKA (0.59) AURKACDK4JAK2HDAC6KDR
SCHEMBL1657463 0.84 JAK2 (0.65) AURKACDK4JAK2HDAC6PTK2
SCHEMBL1655159 0.84 PTK2 (0.54) AURKACDK4JAK2PTK2KDR
SCHEMBL1655335 0.84 PTK2 (0.53) AURKACDK4JAK2PTK2KDR
SCHEMBL27934451 0.83 PTK2 (0.50) AURKACDK4JAK2PTK2KDR
SCHEMBL27916000 0.83 JAK2 (0.56) AURKACDK4JAK2HDAC6PTK2
SCHEMBL1655143 0.83 PTK2 (0.52) AURKACDK4JAK2PTK2KDR
SCHEMBL1657580 0.82 AURKA (0.57) AURKACDK4JAK2HDAC6PTK2

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
JP-2011511034-A — — 2011-04-07 — — JP claimed
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 — — EP claimed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — US claimed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 — — WO claimed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 — — US disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 — — US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 AURKA 755/4885CDK4 186/4885JAK2 2/4885

“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.