SCHEMBL1655283

SCHEMBL1655283

CC(C)Oc1ccc(Nc2ncc3ccn(-c4ccc(CCN5CCOCC5)cc4)c3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 2/20 0.50
IGF1R P08069 2/20 0.49
JAK2 O60674 3/20 0.48
BRD4 O60885 3/20 0.48
CDK1 P06493 2/20 0.48
KDR P35968 2/20 0.48
AURKA O14965 2/20 0.48
CDK4 P11802 2/20 0.48
CAMK2D Q13557 1/20 0.48
STAT6 P42226 3/20 0.47
PTK2 Q05397 1/20 0.46
CSF1R P07333 3/20 0.46
EIF2AK4 Q9P2K8 1/20 0.45

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
SCHEMBL1655755 0.91 STAT6 (0.53) RPS6KA3IGF1RJAK2BRD4KDR
SCHEMBL4288929 0.84 JAK2 (0.53) RPS6KA3JAK2BRD4AURKACDK4
SCHEMBL1656316 0.83 RPS6KA3 (0.50) RPS6KA3IGF1RJAK2BRD4CDK1
SCHEMBL1656301 0.83 PTK2 (0.48) RPS6KA3IGF1RJAK2BRD4CDK1
SCHEMBL1655778 0.83 AURKA (0.48) RPS6KA3IGF1RJAK2BRD4KDR
SCHEMBL1655308 0.82 RPS6KA3 (0.51) RPS6KA3JAK2BRD4AURKACDK4
SCHEMBL1654949 0.82 AURKA (0.47) RPS6KA3IGF1RJAK2BRD4KDR
SCHEMBL1657493 0.82 RPS6KA3 (0.51) RPS6KA3IGF1RJAK2BRD4KDR
SCHEMBL4292063 0.81 JAK2 (0.54) RPS6KA3IGF1RJAK2BRD4CDK1
SCHEMBL13756771 0.81 IGF1R (0.48) RPS6KA3IGF1RBRD4CDK1KDR

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
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US claimed
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

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 303/4885IGF1R 414/4885JAK2 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.