SCHEMBL799132

SCHEMBL799132

CC(C)c1cnc2c(c1)CCN(C)C2=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM5 P41594 2/20 0.34
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP19A1 P11511 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 1/20 0.32
OPRD1 P41143 1/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31

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
SCHEMBL15803236 0.84 PRF1 (0.35) ALDH1A1
SCHEMBL2669108 0.80 HTR1A (0.44) MEN1KMT2AGRM5GAASMN1; SMN2
SCHEMBL17131111 0.78 MEN1 (0.40) MEN1KMT2AGRM5CYP11B1CYP11B2
SCHEMBL15070844 0.77 CYP11B1 (0.31) CYP11B1CYP11B2CYP19A1
SCHEMBL15070852 0.74 KDM4E (0.36) MEN1KMT2AALDH1A1
SCHEMBL13637297 0.72 GRM5 (0.54) MEN1KMT2AGRM5ALDH1A1OPRD1
SCHEMBL27244215 0.70 KDM4E (0.37) CYP11B1CYP11B2CYP19A1SMN1; SMN2HTR2A
SCHEMBL24253289 0.69 MAOA (0.38) MEN1KMT2ADRD2
SCHEMBL19368987 0.69 MEN1 (0.50) MEN1KMT2AGRM5OPRD1DDB1
SCHEMBL27071821 0.69 ACVRL1 (0.38) MEN1KMT2ACYP11B2

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 MEN1 2694/4885KMT2A 2921/4885GRM5 4414/4885

“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.