SCHEMBL1655945

SCHEMBL1655945

CCc1ccc(-n2ccc3cnc(Nc4ccc(N5CCN(C)CC5)nc4)nc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.60
AURKA O14965 4/20 0.60
JAK2 O60674 12/20 0.59
BRD4 O60885 12/20 0.59
RPS6KA3 P51812 1/20 0.57
PTK2 Q05397 1/20 0.56
STAT6 P42226 1/20 0.51
JAK1 P23458 3/20 0.50
BRD2 P25440 3/20 0.50
JAK3 P52333 3/20 0.50
BRD3 Q15059 3/20 0.50
BRDT Q58F21 3/20 0.50
CCND1 P24385 1/20 0.50
CCND2 P30279 1/20 0.50
CCND3 P30281 1/20 0.50
INSR P06213 1/20 0.49
CDK1 P06493 1/20 0.49
PDGFRB P09619 1/20 0.49
SRC P12931 1/20 0.49
PDGFRA P16234 1/20 0.49

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
SCHEMBL1655880 0.86 AURKA (0.59) CDK4AURKAJAK2BRD4RPS6KA3
SCHEMBL1655760 0.85 CDK4 (0.58) CDK4AURKAJAK2BRD4RPS6KA3
SCHEMBL1657623 0.83 CDK4 (0.56) CDK4AURKAJAK2BRD4RPS6KA3
SCHEMBL1655015 0.83 AURKA (0.55) CDK4AURKAJAK2BRD4RPS6KA3
SCHEMBL1654939 0.83 AURKA (0.55) CDK4AURKAJAK2BRD4RPS6KA3
SCHEMBL13746148 0.81 RPS6KA3 (0.60) CDK4AURKAJAK2BRD4RPS6KA3
SCHEMBL1657471 0.81 RPS6KA3 (0.60) CDK4AURKAJAK2BRD4RPS6KA3
SCHEMBL1657643 0.79 JAK2 (0.56) CDK4AURKAJAK2BRD4RPS6KA3
SCHEMBL1655190 0.79 RPS6KA3 (0.56) CDK4AURKAJAK2BRD4RPS6KA3
SCHEMBL1654963 0.79 RPS6KA3 (0.57) CDK4AURKAJAK2BRD4RPS6KA3

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 CDK4 186/4885AURKA 755/4885JAK2 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.