SCHEMBL4875387

SCHEMBL4875387

CC(C)(C)OC(=O)NCCCc1ccc(-n2cc(-c3nccs3)nc2-c2ccc(-n3ccc4cccnc43)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.38
P2RY14 Q15391 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NR1H2 P55055 2/20 0.35
METAP1 P53582 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ASAH1 Q13510 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
PDPK1 O15530 1/20 0.33
CCNB2 O95067 1/20 0.33
PRKCB P05771 1/20 0.33
CDK1 P06493 1/20 0.33
LYN P07948 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL4874807 0.96 AKT1 (0.42) AKT1P2RY14MEN1KMT2ANR1H2
SCHEMBL4875378 0.85 GBA1 (0.35) NR1H2METAP1
SCHEMBL4875774 0.85 SMN1; SMN2 (0.35) AKT1MEN1KMT2AL3MBTL1ASAH1
SCHEMBL4874798 0.83 GPR119 (0.34) NR1H2METAP1
SCHEMBL4855850 0.82 ADRB2 (0.37)
SCHEMBL4874188 0.80 PDE11A (0.33) MEN1KMT2A
SCHEMBL4875766 0.79 PDE11A (0.34) MEN1KMT2AL3MBTL1
SCHEMBL6329645 0.77 NAMPT (0.38) AKT1P2RY14L3MBTL1KDM4EBRD4
SCHEMBL4861340 0.76 CRHR1 (0.39) MEN1KMT2AKDM4E
SCHEMBL4804748 0.76 PTGS1 (0.39) METAP1PDPK1CDK2

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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 AKT1 1523/4885P2RY14 3037/4885MEN1 913/4885

“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.