SCHEMBL12565545

SCHEMBL12565545

C[C@@H]1CC[C@@H](C(=O)Nc2cc(-c3cccc(NCC4CCOCC4)n3)ccn2)CN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.50
CCNT1 O60563 4/20 0.47
CDK9 P50750 3/20 0.47
MAPK8 P45983 2/20 0.46
MAPK10 P53779 2/20 0.46
MAPK14 Q16539 2/20 0.46
PIP5K1C O60331 7/20 0.45
PIK3CA P42336 7/20 0.45
KCNH2 Q12809 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
GSK3B P49841 1/20 0.43
PIK3CD O00329 2/20 0.42
PIP5K1B O14986 2/20 0.42
PDGFRB P09619 2/20 0.42
PIK3CB P42338 2/20 0.42
PI4KA P42356 2/20 0.42
PIK3CG P48736 2/20 0.42
PDK1 Q15118 2/20 0.42
PIP5K1A Q99755 2/20 0.42
PI4KB Q9UBF8 2/20 0.42

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
SCHEMBL12563382 0.90 IRAK4 (0.49) IRAK4CCNT1CDK9MAPK8MAPK10
SCHEMBL10285666 0.89 GSK3B (0.46) IRAK4CCNT1CDK9MAPK8MAPK10
SCHEMBL12564527 0.89 CCNT1 (0.51) IRAK4CCNT1CDK9MAPK14PIP5K1C
SCHEMBL12566389 0.89 CCNT1 (0.51) IRAK4CCNT1CDK9MAPK14PIP5K1C
SCHEMBL10241819 0.87 PIP5K1C (0.54) CDK9MAPK8MAPK10MAPK14PIP5K1C
SCHEMBL1946510 0.86 CDK9 (0.59) IRAK4CCNT1CDK9MAPK8MAPK10
SCHEMBL1461986 0.85 IRAK4 (0.49) IRAK4CCNT1CDK9MAPK8MAPK10
SCHEMBL1462735 0.85 CCNT1 (0.61) CCNT1CDK9
SCHEMBL12565868 0.85 CCNT1 (0.61) CCNT1CDK9
SCHEMBL1463108 0.85 CCNT1 (0.61) CCNT1CDK9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 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-20110130380-A1 Heteroaryl Kinase Inhibitors CDK2, CDK1, CDKL1 IRAK4 1446/4885CCNT1 47/4885CDK9 5/4885

“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.