SCHEMBL1655241

SCHEMBL1655241

Cn1cc(Nc2ncc3ccn(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3n2)cn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 3/20 0.54
STAT6 P42226 6/20 0.46
EIF2AK4 Q9P2K8 1/20 0.46
JAK2 O60674 7/20 0.44
HDAC6 Q9UBN7 2/20 0.44
JAK3 P52333 6/20 0.43
JAK1 P23458 4/20 0.43
BRD4 O60885 3/20 0.43
AURKA O14965 1/20 0.42
CDK4 P11802 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
BRDT Q58F21 1/20 0.42
TYK2 P29597 1/20 0.42
HDAC1 Q13547 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
SCHEMBL1654992 0.90 EIF2AK4 (0.50) RPS6KA3STAT6EIF2AK4JAK2HDAC6
SCHEMBL1657475 0.88 RPS6KA3 (0.55) RPS6KA3STAT6JAK2JAK3JAK1
SCHEMBL1654501 0.87 RPS6KA3 (0.57) RPS6KA3STAT6JAK2JAK3BRD4
SCHEMBL1654507 0.86 RPS6KA3 (0.56) RPS6KA3STAT6JAK2JAK3JAK1
SCHEMBL4283758 0.86 STAT6 (0.58) RPS6KA3STAT6JAK2JAK3BRD4
SCHEMBL1655295 0.86 RPS6KA3 (0.54) RPS6KA3STAT6JAK2JAK3JAK1
SCHEMBL1655869 0.86 RPS6KA3 (0.54) RPS6KA3STAT6JAK2JAK3JAK1
SCHEMBL4288520 0.85 STAT6 (0.53) RPS6KA3STAT6JAK2JAK3JAK1
SCHEMBL1655180 0.85 JAK2 (0.52) RPS6KA3STAT6EIF2AK4JAK2JAK3
SCHEMBL1655004 0.85 RPS6KA3 (0.54) RPS6KA3STAT6JAK2BRD4AURKA

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
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 303/4885STAT6 601/4885EIF2AK4 571/4885

“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.