SCHEMBL1655112

SCHEMBL1655112

CN1CCN(C(=O)c2ccc(-n3ccc4cnc(Nc5ccc(F)cc5)nc43)cc2F)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.57
JAK2 O60674 15/20 0.57
BRD4 O60885 15/20 0.57
JAK1 P23458 4/20 0.57
BRD2 P25440 4/20 0.57
JAK3 P52333 4/20 0.57
BRD3 Q15059 4/20 0.57
BRDT Q58F21 4/20 0.57
AURKA O14965 3/20 0.54
CDK4 P11802 3/20 0.54
CCNT1 O60563 1/20 0.53
CCNE1 P24864 1/20 0.53
CDK2 P24941 1/20 0.53
CDK9 P50750 1/20 0.53

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
SCHEMBL1654989 0.91 JAK2 (0.58) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL1655325 0.91 JAK2 (0.57) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL1655057 0.90 RPS6KA3 (0.58) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL1656265 0.89 AURKA (0.53) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL1654549 0.88 JAK2 (0.58) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL1655879 0.87 JAK2 (0.65) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL1654957 0.86 JAK2 (0.59) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL1655141 0.84 RPS6KA3 (0.56) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL1656013 0.84 JAK2 (0.52) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL13749253 0.83 RPS6KA3 (0.55) 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 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 2/4885BRD4 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.