SCHEMBL16488556

SCHEMBL16488556

C[C@@H]1CCc2ncnc(N3CCCCC3)c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 4/20 0.48
AKT1 P31749 3/20 0.48
AKT3 Q9Y243 3/20 0.48
ALDH1A1 P00352 2/20 0.40
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 5/20 0.39
ALOX15 P16050 2/20 0.39
MAP3K5 Q99683 1/20 0.39
JAK3 P52333 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 2/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 2/20 0.36
PRNP P04156 1/20 0.36
MAPT P10636 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL16250555 0.86 AKT1 (0.47) AKT2AKT1AKT3ALDH1A1LMNA
SCHEMBL12194052 0.86 AKT1 (0.47) AKT2AKT1AKT3ALDH1A1LMNA
SCHEMBL3944642 0.85 AKT1 (0.44) AKT2AKT1AKT3ALDH1A1LMNA
SCHEMBL16250556 0.85 AKT1 (0.49) AKT2AKT1AKT3LMNASMN1; SMN2
SCHEMBL22533475 0.85 AKT1 (0.44) AKT2AKT1AKT3ALDH1A1LMNA
Hydrochloric Acid SCHEMBL2262657 0.84 AKT1 (0.44) AKT2AKT1AKT3ALDH1A1LMNA
Hydrochloric Acid SCHEMBL2262653 0.84 AKT1 (0.44) AKT2AKT1AKT3ALDH1A1LMNA
SCHEMBL3948397 0.82 AKT1 (0.45) AKT2AKT1AKT3LMNASMN1; SMN2
SCHEMBL16250573 0.82 AKT1 (0.48) AKT2AKT1AKT3ALDH1A1SMN1; SMN2
SCHEMBL8220458 0.81 AKT1 (0.47) AKT2AKT1AKT3LMNASMN1; SMN2

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-20150051217-A1 HYDROXYLATED PYRIMIDYL CYCLOPENTANE AS AKT PROTEIN KINASE INHIBITOR ARRAY BIOPHARMA INC (US) 2015-02-19 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-20150051217-A1 HYDROXYLATED PYRIMIDYL CYCLOPENTANE AS AKT PROTEIN KINASE INHIBITOR AKT1, AKT2, PIK3CA AKT2 2/4885AKT1 1/4885AKT3 7/4885

“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.