SCHEMBL1655899

SCHEMBL1655899

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

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.81
CDK4 P11802 3/20 0.81
JAK2 O60674 14/20 0.75
BRD4 O60885 14/20 0.75
FGFR4 P22455 2/20 0.66
JAK1 P23458 3/20 0.65
BRD2 P25440 3/20 0.65
JAK3 P52333 3/20 0.65
BRD3 Q15059 3/20 0.65
BRDT Q58F21 3/20 0.65
RPS6KA3 P51812 1/20 0.64

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
SCHEMBL1657609 0.91 JAK2 (0.73) AURKACDK4JAK2BRD4FGFR4
SCHEMBL1655763 0.90 AURKA (0.67) AURKACDK4JAK2BRD4FGFR4
SCHEMBL1655864 0.90 AURKA (0.77) AURKACDK4JAK2BRD4JAK1
SCHEMBL1655839 0.89 JAK2 (0.67) AURKACDK4JAK2BRD4FGFR4
SCHEMBL1656027 0.88 JAK2 (0.74) AURKACDK4JAK2BRD4FGFR4
SCHEMBL1655049 0.88 AURKA (0.64) AURKACDK4JAK2BRD4FGFR4
SCHEMBL1657481 0.87 JAK2 (0.67) AURKACDK4JAK2BRD4FGFR4
SCHEMBL1657629 0.87 JAK2 (0.67) AURKACDK4JAK2BRD4FGFR4
SCHEMBL29277206 0.86 AURKA (0.77) AURKACDK4JAK2BRD4JAK1
SCHEMBL13756883 0.86 JAK2 (0.67) AURKACDK4JAK2BRD4FGFR4

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 7 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

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.