SCHEMBL1655119

SCHEMBL1655119

COCCn1cc(Nc2ncc3ccn(-c4cc(F)c(C(=O)N5CCOCC5)c(F)c4)c3n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 2/20 0.49
▸ JAK2 O60674 9/20 0.48
▸ HDAC6 Q9UBN7 7/20 0.48
▸ EIF2AK4 Q9P2K8 1/20 0.47
▸ JAK3 P52333 7/20 0.46
▸ JAK1 P23458 3/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ LRRK2 Q5S007 2/20 0.44
▸ MAP3K7 O43318 2/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ MAP2K1 Q02750 1/20 0.42

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
SCHEMBL1655181 0.89 RPS6KA3 (0.54) RPS6KA3JAK2HDAC6JAK3JAK1
SCHEMBL1654992 0.88 EIF2AK4 (0.50) RPS6KA3JAK2HDAC6EIF2AK4JAK3
SCHEMBL13756814 0.83 LRRK2 (0.43) JAK2HDAC6JAK3JAK1TYK2
SCHEMBL1657598 0.82 RPS6KA3 (0.58) RPS6KA3JAK2JAK3JAK1TYK2
SCHEMBL13749251 0.82 RPS6KA3 (0.52) RPS6KA3JAK2JAK3JAK1LRRK2
SCHEMBL1655107 0.82 RPS6KA3 (0.57) RPS6KA3JAK2JAK3JAK1
SCHEMBL1654545 0.81 RPS6KA3 (0.54) RPS6KA3JAK2JAK3JAK1
SCHEMBL1654964 0.81 RPS6KA3 (0.54) RPS6KA3JAK2JAK3JAK1
SCHEMBL1655068 0.80 RPS6KA3 (0.54) RPS6KA3JAK2JAK3JAK1
SCHEMBL1655385 0.80 RPS6KA3 (0.55) RPS6KA3JAK2JAK3JAK1TYK2

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-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 RPS6KA3 303/4885JAK2 2/4885HDAC6 705/4885

“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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