SCHEMBL1655331

SCHEMBL1655331

CC(C)Oc1ccc(Nc2ncc3ccn(-c4ccc(CC(=O)N5CCN(C)CC5)cc4)c3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.62
JAK2 O60674 9/20 0.62
AURKA O14965 3/20 0.51
CDK4 P11802 3/20 0.51
RPS6KA3 P51812 1/20 0.48
MAP3K7 O43318 1/20 0.46
MAP2K1 Q02750 1/20 0.46
IGF1R P08069 1/20 0.46
FGFR4 P22455 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
SCHEMBL4288929 0.91 JAK2 (0.53) BRD4JAK2AURKACDK4RPS6KA3
SCHEMBL4283753 0.88 BRD4 (0.67) BRD4JAK2AURKACDK4RPS6KA3
SCHEMBL1656022 0.86 BRD4 (0.68) BRD4JAK2AURKACDK4RPS6KA3
SCHEMBL27934426 0.85 JAK2 (0.51) BRD4JAK2AURKACDK4RPS6KA3
SCHEMBL1655850 0.84 BRD4 (0.65) BRD4JAK2AURKACDK4RPS6KA3
SCHEMBL1655363 0.84 AURKA (0.49) BRD4JAK2AURKACDK4RPS6KA3
SCHEMBL13756873 0.83 BRD4 (0.52) BRD4JAK2IGF1RFGFR4
SCHEMBL1655930 0.82 BRD4 (0.68) BRD4JAK2AURKACDK4RPS6KA3
SCHEMBL1656265 0.82 AURKA (0.53) BRD4JAK2AURKACDK4RPS6KA3
SCHEMBL1656301 0.80 PTK2 (0.48) BRD4JAK2AURKACDK4RPS6KA3

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 7 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

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 BRD4 964/4885JAK2 2/4885AURKA 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.