SCHEMBL798556

SCHEMBL798556

CC(C)c1nc2c(o1)CN(C(C)C)CC2

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CHRNA7 P36544 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL19454166 0.83 CYP3A4 (0.31) CYP3A4TSHRHSD17B10CHRNA7LMNA
SCHEMBL1106419 0.81 CYP2C19 (0.37) GAACYP3A4TSHRHSD17B10LMNA
SCHEMBL9963385 0.81 ADORA2A (0.38) CYP3A4TSHRHSD17B10CHRNA7LMNA
SCHEMBL14925526 0.78 CYP3A4 (0.49) GAAALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL14925524 0.74 GAA (0.31) GAA
SCHEMBL1106414 0.71 CHRM3 (0.34) GAACYP3A4TSHRHSD17B10LMNA
SCHEMBL12938135 0.70 CHRNA7 (0.39) GAAALDH1A1THRBL3MBTL1CHRNA7
SCHEMBL798784 0.69 GAA (0.40) GAA
SCHEMBL13937972 0.68 PIK3R1 (0.33) CHRNA7PIK3R1PIK3CA
SCHEMBL24836059 0.68 CYP3A4 (0.34) CYP3A4TSHRHSD17B10LMNABLM

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 GAA 1336/4885ALDH1A1 3750/4885THRB 3437/4885

“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.