SCHEMBL1656322

SCHEMBL1656322

O=C(c1c(F)cc(-n2ccc3cnc(Nc4ccc(N5CCNCC5)nc4)nc32)cc1F)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 2/20 0.52
JAK2 O60674 12/20 0.50
BRD4 O60885 12/20 0.50
JAK1 P23458 4/20 0.48
BRD2 P25440 4/20 0.48
JAK3 P52333 4/20 0.48
BRD3 Q15059 4/20 0.48
BRDT Q58F21 4/20 0.48
STAT6 P42226 4/20 0.44
CDK4 P11802 2/20 0.44
PIK3CD O00329 1/20 0.44
CSF1R P07333 1/20 0.44
CDK6 Q00534 1/20 0.44
CCNA2 P20248 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL13749309 0.91 RPS6KA3 (0.55) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL13756781 0.90 RPS6KA3 (0.49) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL13749680 0.90 RPS6KA3 (0.49) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL4292091 0.89 RPS6KA3 (0.49) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL1657484 0.88 RPS6KA3 (0.49) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL1657486 0.88 RPS6KA3 (0.49) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL1655122 0.88 RPS6KA3 (0.49) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL4291686 0.86 RPS6KA3 (0.51) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL1654964 0.86 RPS6KA3 (0.54) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL1657628 0.85 RPS6KA3 (0.49) RPS6KA3JAK2BRD4JAK1BRD2

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.