SCHEMBL1656337

SCHEMBL1656337

CC(C)Oc1ccc(Nc2ncc3ccn(-c4ccc(N5CCCC5=O)cc4)c3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.47
PTK2 Q05397 5/20 0.47
AURKA O14965 4/20 0.47
MAPK8 P45983 2/20 0.47
MAPK9 P45984 2/20 0.47
RPS6KA3 P51812 2/20 0.47
FGFR1 P11362 2/20 0.47
DAPK3 O43293 1/20 0.47
PAK4 O96013 1/20 0.47
ABL1 P00519 1/20 0.47
NTRK1 P04629 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
IGF1R P08069 1/20 0.47
MET P08581 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
PRKACA P17612 1/20 0.47

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
SCHEMBL1655490 0.87 CDK4 (0.47) JAK2PTK2AURKAMAPK8MAPK9
SCHEMBL13756692 0.82 PTK2 (0.53) JAK2PTK2AURKAMAPK8MAPK9
SCHEMBL13756699 0.81 MAPK8 (0.44) PTK2MAPK8MAPK9FGFR1FYN
SCHEMBL1656301 0.81 PTK2 (0.48) JAK2PTK2AURKAMAPK8MAPK9
SCHEMBL1655159 0.80 PTK2 (0.54) JAK2PTK2AURKAMAPK8MAPK9
SCHEMBL1655231 0.80 AURKA (0.54) JAK2PTK2AURKAMAPK8MAPK9
SCHEMBL1655335 0.80 PTK2 (0.53) JAK2PTK2AURKAMAPK8MAPK9
SCHEMBL17112704 0.79 AURKA (0.47) JAK2PTK2AURKAMAPK8MAPK9
SCHEMBL27934451 0.79 PTK2 (0.50) JAK2PTK2AURKAMAPK8MAPK9
SCHEMBL1655143 0.79 PTK2 (0.52) JAK2PTK2AURKAMAPK8MAPK9

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
CN-101981036-B Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2013-09-04 CN disclosed
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

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 JAK2 2/4885PTK2 175/4885AURKA 755/4885

“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.