SCHEMBL1655940

SCHEMBL1655940

Cc1ccc(Nc2ncc3ccn(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3n2)cc1CN1CCN(CCN(C)C)C(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 2/20 0.43
JAK2 O60674 11/20 0.41
BRD4 O60885 10/20 0.41
STAT6 P42226 4/20 0.38
JAK3 P52333 4/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 1/20 0.37
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
BRDT Q58F21 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36

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
SCHEMBL1654915 0.91 RPS6KA3 (0.47) RPS6KA3JAK2BRD4STAT6JAK3
SCHEMBL1655382 0.90 RPS6KA3 (0.45) RPS6KA3JAK2BRD4STAT6JAK3
SCHEMBL1655282 0.88 RPS6KA3 (0.44) RPS6KA3JAK2BRD4STAT6JAK3
SCHEMBL3402199 0.86 RPS6KA3 (0.50) RPS6KA3JAK2BRD4STAT6JAK3
SCHEMBL4283847 0.85 JAK2 (0.46) RPS6KA3JAK2BRD4STAT6JAK3
SCHEMBL4286363 0.85 JAK2 (0.46) RPS6KA3JAK2BRD4STAT6JAK3
SCHEMBL4291921 0.84 RPS6KA3 (0.46) RPS6KA3JAK2BRD4STAT6JAK3
SCHEMBL1654764 0.83 RPS6KA3 (0.48) RPS6KA3JAK2BRD4STAT6JAK3
SCHEMBL4291665 0.82 RPS6KA3 (0.46) RPS6KA3JAK2BRD4STAT6JAK3
SCHEMBL13746149 0.82 JAK2 (0.40) RPS6KA3JAK2BRD4STAT6JAK3

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 RPS6KA3 303/4885JAK2 2/4885BRD4 964/4885

“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.