SCHEMBL1655013

SCHEMBL1655013

CS(=O)(=O)c1ccc(-n2ccc3cnc(Nc4ccc(CN5CCOCC5)cc4)nc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 14/20 0.61
▸ JAK3 P52333 8/20 0.61
▸ PTK2 Q05397 7/20 0.61
▸ AURKA O14965 1/20 0.56
▸ CDK4 P11802 1/20 0.56
▸ BRD4 O60885 4/20 0.54
▸ STAT6 P42226 3/20 0.54
▸ HDAC6 Q9UBN7 2/20 0.50
▸ RPS6KA3 P51812 1/20 0.50

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
SCHEMBL4293250 0.91 AURKA (0.56) JAK2JAK3PTK2AURKACDK4
SCHEMBL1655049 0.90 AURKA (0.64) JAK2JAK3PTK2AURKACDK4
SCHEMBL1655187 0.89 AURKA (0.54) JAK2JAK3PTK2AURKACDK4
SCHEMBL3399191 0.89 JAK2 (0.62) JAK2JAK3PTK2AURKACDK4
SCHEMBL1655016 0.88 STAT6 (0.58) JAK2JAK3PTK2AURKACDK4
SCHEMBL3399195 0.88 AURKA (0.55) JAK2JAK3PTK2AURKACDK4
SCHEMBL1657590 0.87 AURKA (0.53) JAK2JAK3PTK2AURKACDK4
SCHEMBL1655002 0.87 JAK2 (0.54) JAK2JAK3PTK2AURKACDK4
SCHEMBL3403256 0.87 AURKA (0.52) JAK2JAK3PTK2AURKACDK4
SCHEMBL1655888 0.86 JAK2 (0.65) JAK2JAK3PTK2AURKACDK4

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 2/4885JAK3 16/4885PTK2 175/4885

“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.

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