SCHEMBL16488552

SCHEMBL16488552

C[C@@H]1CC(=O)c2ncnc(N3CCCCC3)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 4/20 0.37
AKT2 P31751 3/20 0.37
ALOX15 P16050 2/20 0.37
MAP3K5 Q99683 1/20 0.37
JAK3 P52333 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AKT1 P31749 5/20 0.35
PRKCB P05771 3/20 0.35
RPS6KB1 P23443 3/20 0.35
RPS6KA1 Q15418 3/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL12194049 0.87 HRH4 (0.41) ALDH1A1LMNASMN1; SMN2PKMHTT
SCHEMBL17629229 0.86 HTR2C (0.40) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL17629230 0.86 HTR2C (0.40) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL3939523 0.83 AKT1 (0.32) AKT2AKT1PRKCBRPS6KB1RPS6KA1
SCHEMBL926142 0.82 AKT1 (0.39) ALDH1A1AKT2MEN1KMT2AAKT1
SCHEMBL17634051 0.82 AKT1 (0.39) ALDH1A1AKT2MEN1KMT2AAKT1
SCHEMBL16624829 0.81 AKT3 (0.33) LMNASMN1; SMN2HTTAKT2AKT1
SCHEMBL192015 0.78 KIT (0.48) ALDH1A1LMNAMAPTKIT
SCHEMBL19283120 0.72 AKT1 (0.34) AKT2MEN1KMT2AAKT1KIT
SCHEMBL16488548 0.71 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2NPC1PKM

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 JAK2 79/4885ALDH1A1 1251/4885LMNA 4242/4885

“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.