SCHEMBL1656375

SCHEMBL1656375

Cc1cc(-n2ccc3cnc(Nc4ccc(OC(C)C)cc4)nc32)ccc1C(=O)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.48
BRD4 O60885 13/20 0.48
AURKA O14965 2/20 0.47
CDK4 P11802 2/20 0.47
RPS6KA3 P51812 1/20 0.47
PTK2 Q05397 1/20 0.45
LRRK2 Q5S007 2/20 0.44
JAK1 P23458 1/20 0.44
BRD2 P25440 1/20 0.44
JAK3 P52333 1/20 0.44
BRD3 Q15059 1/20 0.44
BRDT Q58F21 1/20 0.44
MAPK10 P53779 1/20 0.43

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
SCHEMBL1657491 0.92 RPS6KA3 (0.52) JAK2BRD4AURKACDK4RPS6KA3
SCHEMBL1657577 0.92 PTK2 (0.49) JAK2BRD4AURKACDK4RPS6KA3
SCHEMBL4292063 0.90 JAK2 (0.54) JAK2BRD4AURKACDK4RPS6KA3
SCHEMBL1657529 0.87 RPS6KA3 (0.51) JAK2BRD4AURKACDK4RPS6KA3
SCHEMBL1655320 0.85 RPS6KA3 (0.51) JAK2BRD4AURKACDK4RPS6KA3
SCHEMBL1655871 0.85 RPS6KA3 (0.55) JAK2BRD4CDK4RPS6KA3JAK1
SCHEMBL1656010 0.83 RPS6KA3 (0.51) JAK2BRD4AURKARPS6KA3PTK2
SCHEMBL1656265 0.83 AURKA (0.53) JAK2BRD4AURKACDK4RPS6KA3
SCHEMBL1655778 0.83 AURKA (0.48) JAK2BRD4AURKACDK4RPS6KA3
SCHEMBL4288929 0.83 JAK2 (0.53) JAK2BRD4AURKACDK4RPS6KA3

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 9 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
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 2/4885BRD4 964/4885AURKA 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.