Sugi Predict

Sugi Predict / Compounds / SCHEMBL1657481

SCHEMBL1657481

SCHEMBL1657481

CN1CCN(C(=O)c2ccc(Nc3ncc4ccn(-c5ccc(S(C)(=O)=O)cc5)c4n3)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 15/20 0.67
▸ BRD4 O60885 13/20 0.67
▸ AURKA O14965 2/20 0.63
▸ CDK4 P11802 2/20 0.63
▸ FGFR4 P22455 1/20 0.59
▸ ABL1 P00519 1/20 0.54
▸ PDGFRB P09619 1/20 0.54
▸ KIT P10721 1/20 0.54
▸ SRC P12931 1/20 0.54
▸ PDGFRA P16234 1/20 0.54
▸ MAPK14 Q16539 1/20 0.54
▸ HDAC6 Q9UBN7 2/20 0.54
▸ RPS6KA3 P51812 1/20 0.51
▸ JAK1 P23458 1/20 0.51
▸ BRD2 P25440 1/20 0.51
▸ JAK3 P52333 1/20 0.51
▸ BRD3 Q15059 1/20 0.51
▸ BRDT Q58F21 1/20 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
SCHEMBL1655806 0.90 JAK2 (0.62) JAK2BRD4AURKACDK4FGFR4
SCHEMBL4283728 0.90 JAK2 (0.55) JAK2BRD4AURKACDK4FGFR4
SCHEMBL1654459 0.90 JAK2 (0.63) JAK2BRD4AURKACDK4FGFR4
SCHEMBL1657551 0.89 AURKA (0.59) JAK2BRD4AURKACDK4FGFR4
SCHEMBL1654987 0.88 JAK2 (0.57) JAK2BRD4AURKACDK4FGFR4
SCHEMBL1655879 0.88 JAK2 (0.65) JAK2BRD4AURKACDK4FGFR4
SCHEMBL1657453 0.87 JAK2 (0.57) JAK2BRD4AURKACDK4FGFR4
SCHEMBL1655899 0.87 AURKA (0.81) JAK2BRD4AURKACDK4FGFR4
SCHEMBL27915948 0.87 JAK2 (0.56) JAK2BRD4AURKACDK4FGFR4
SCHEMBL1655059 0.87 AURKA (0.58) JAK2BRD4AURKACDK4ABL1

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 9 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-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — 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
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 — — 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 JAK2 2/4885BRD4 964/4885AURKA 755/4885

“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.