SCHEMBL804959

SCHEMBL804959

Cc1nc2cnc(C(C)(C)C)cc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.52
ALDH1A1 P00352 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
HSD17B10 Q99714 2/20 0.52
PKM P14618 2/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
GAA P10253 1/20 0.48
POLB P06746 1/20 0.39
HTT P42858 3/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALOX15 P16050 1/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CHRNB2 P17787 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
SCHEMBL13587136 0.82 CASR (0.33) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL10183352 0.81 RAB9A (0.50) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL21981998 0.78 ACACB (0.36) SMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL7920616 0.77 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL25604320 0.76 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL16624932 0.74 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL24910454 0.72 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL14046218 0.71 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL18258326 0.71 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL4384430 0.71 SMN1; SMN2 (0.85) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10

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 SMN1; SMN2 3011/4885ALDH1A1 3750/4885NPC1 1283/4885

“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.