SCHEMBL1655111

SCHEMBL1655111

CS(=O)(=O)c1ccc(-n2ccc3cnc(Nc4ccc(N5CCNC6(CC6)C5)nc4)nc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.50
CDK4 P11802 1/20 0.50
JAK2 O60674 17/20 0.46
BRD4 O60885 14/20 0.46
JAK3 P52333 4/20 0.45
JAK1 P23458 3/20 0.45
BRD2 P25440 3/20 0.45
BRD3 Q15059 3/20 0.45
BRDT Q58F21 3/20 0.45
WEE1 P30291 1/20 0.45
PLK1 P53350 1/20 0.45
HDAC6 Q9UBN7 2/20 0.45
PTK2 Q05397 1/20 0.42
RPS6KA3 P51812 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
SCHEMBL1654997 0.89 AURKA (0.49) AURKACDK4JAK2BRD4JAK3
SCHEMBL1657652 0.87 JAK2 (0.57) AURKACDK4JAK2BRD4JAK3
SCHEMBL4290025 0.81 AURKA (0.51) AURKACDK4JAK2BRD4JAK3
SCHEMBL4290022 0.81 AURKA (0.51) AURKACDK4JAK2BRD4JAK3
SCHEMBL1655839 0.80 JAK2 (0.67) AURKACDK4JAK2BRD4JAK3
SCHEMBL1654519 0.77 AURKA (0.55) AURKACDK4JAK2BRD4JAK3
SCHEMBL4292091 0.76 RPS6KA3 (0.49) CDK4JAK2BRD4JAK3JAK1
SCHEMBL1655280 0.76 RPS6KA3 (0.49) JAK2BRD4JAK3JAK1BRD2
SCHEMBL1657524 0.76 AURKA (0.59) AURKACDK4JAK2BRD4JAK3
SCHEMBL1655899 0.75 AURKA (0.81) AURKACDK4JAK2BRD4JAK3

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
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 AURKA 755/4885CDK4 186/4885JAK2 2/4885

“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.