SCHEMBL10242086

SCHEMBL10242086

C[C@@H]1CC[C@@H](C(=O)Nc2cc(-c3cccc(NC[C@@H]4CCOC(C)(C)C4)c3)ccn2)CN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP5K1C O60331 13/20 0.48
PIK3CA P42336 11/20 0.48
PIP5K1B O14986 4/20 0.42
PIP5K1A Q99755 4/20 0.42
PIK3CD O00329 3/20 0.42
PDGFRB P09619 3/20 0.42
PIK3CB P42338 3/20 0.42
PI4KA P42356 3/20 0.42
PIK3CG P48736 3/20 0.42
PDK1 Q15118 3/20 0.42
PI4KB Q9UBF8 3/20 0.42
MAPK8 P45983 4/20 0.42
MAPK10 P53779 4/20 0.42
MAPK14 Q16539 2/20 0.42
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL10244215 1.00 PIP5K1C (0.48) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL10242897 0.89 CDK9 (0.42) CCNT1CDK9
SCHEMBL10243819 0.89 CDK9 (0.42) CCNT1CDK9
SCHEMBL10241819 0.89 PIP5K1C (0.54) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL12564527 0.89 CCNT1 (0.51) PIP5K1CPIK3CAMAPK14CCNT1CDK9
SCHEMBL12566389 0.89 CCNT1 (0.51) PIP5K1CPIK3CAMAPK14CCNT1CDK9
SCHEMBL10285511 0.85 GSK3B (0.43) CCNT1CDK9MAPT
SCHEMBL10285981 0.85 GSK3B (0.43) CCNT1CDK9MAPT
SCHEMBL10243992 0.79 PIP5K1C (0.53) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL10242921 0.79 CDK9 (0.50) 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-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors PFISTER KEITH B (US) 2012-06-21 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-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors CDK2, CDK1, CDK6 PIP5K1C 476/4885PIK3CA 218/4885PIP5K1B 437/4885

“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.