SCHEMBL1657607

SCHEMBL1657607

CCOc1ccc(Nc2ncc3ccn(-c4ccc(CN5CCOCC5)cc4)c3n2)cc1OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 9/20 0.54
▸ RPS6KA3 P51812 3/20 0.51
▸ STAT6 P42226 4/20 0.50
▸ JAK2 O60674 3/20 0.47
▸ FGFR1 P11362 2/20 0.47
▸ KDR P35968 2/20 0.47
▸ AURKA O14965 2/20 0.47
▸ DAPK3 O43293 1/20 0.47
▸ PAK4 O96013 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ NTRK1 P04629 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ CSF1R P07333 1/20 0.47
▸ RET P07949 1/20 0.47
▸ IGF1R P08069 1/20 0.47
▸ MET P08581 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ PRKACA P17612 1/20 0.47

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
SCHEMBL4288247 0.89 RPS6KA3 (0.46) PTK2RPS6KA3STAT6JAK2FGFR1
SCHEMBL1654970 0.86 RPS6KA3 (0.54) PTK2RPS6KA3STAT6JAK2AURKA
SCHEMBL1654525 0.85 RPS6KA3 (0.53) PTK2RPS6KA3STAT6JAK2FGFR1
SCHEMBL1655016 0.85 STAT6 (0.58) PTK2RPS6KA3STAT6JAK2AURKA
SCHEMBL1654565 0.83 RPS6KA3 (0.58) PTK2RPS6KA3STAT6JAK2FGFR1
SCHEMBL1655755 0.82 STAT6 (0.53) PTK2RPS6KA3STAT6JAK2FGFR1
SCHEMBL1655013 0.81 JAK2 (0.61) PTK2RPS6KA3STAT6JAK2AURKA
SCHEMBL1654961 0.79 JAK2 (0.53) PTK2RPS6KA3JAK2FGFR1KDR
SCHEMBL4283758 0.79 STAT6 (0.58) RPS6KA3STAT6JAK2FGFR1KDR
SCHEMBL1655045 0.78 JAK2 (0.55) PTK2RPS6KA3JAK2FGFR1KDR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 — — US claimed
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 PTK2 175/4885RPS6KA3 303/4885STAT6 601/4885

“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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