SCHEMBL1655280

SCHEMBL1655280

Fc1cc(-n2ccc3cnc(Nc4ccc(N5CCNC6(CC6)C5)nc4)nc32)cc(F)c1CN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 4/20 0.49
STAT6 P42226 7/20 0.43
WEE1 P30291 1/20 0.43
PLK1 P53350 1/20 0.43
JAK2 O60674 7/20 0.41
BRD4 O60885 7/20 0.41
JAK1 P23458 2/20 0.39
BRD2 P25440 2/20 0.39
JAK3 P52333 2/20 0.39
BRD3 Q15059 2/20 0.39
BRDT Q58F21 2/20 0.39
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL4291686 0.89 RPS6KA3 (0.51) RPS6KA3STAT6JAK2BRD4JAK1
SCHEMBL4292091 0.87 RPS6KA3 (0.49) RPS6KA3STAT6WEE1PLK1JAK2
SCHEMBL13749273 0.87 RPS6KA3 (0.48) RPS6KA3STAT6WEE1PLK1JAK2
SCHEMBL1655256 0.84 RPS6KA3 (0.45) RPS6KA3STAT6WEE1PLK1JAK2
SCHEMBL1655149 0.84 RPS6KA3 (0.45) RPS6KA3STAT6JAK2BRD4JAK1
SCHEMBL1655083 0.83 RPS6KA3 (0.49) RPS6KA3STAT6JAK2BRD4JAK1
SCHEMBL1655086 0.83 RPS6KA3 (0.49) RPS6KA3STAT6JAK2BRD4JAK1
SCHEMBL4288882 0.83 RPS6KA3 (0.46) RPS6KA3STAT6WEE1JAK2BRD4
SCHEMBL4286281 0.82 RPS6KA3 (0.51) RPS6KA3STAT6JAK2BRD4JAK1
SCHEMBL3397949 0.82 RPS6KA3 (0.49) RPS6KA3STAT6JAK2BRD4JAK1

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
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

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 601/4885WEE1 348/4885

“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.