SCHEMBL798504

SCHEMBL798504

CC(C)c1cn2c(C(C)C)csc2n1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.32
ALOX15 P16050 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
SCHEMBL13390894 0.81 ALOX15 (0.47) ALOX15
SCHEMBL27364077 0.81 ALOX15 (0.34) ALOX15
SCHEMBL14046228 0.77 ALOX15 (0.32) ALOX15
SCHEMBL14027767 0.76 ALOX15 (0.31) ALOX15
SCHEMBL27361269 0.75 ALOX15 (0.33) ADORA3ALOX15
SCHEMBL8809274 0.74 ALOX15 (0.30) ALOX15
SCHEMBL25848615 0.69 ADORA3 (0.38) ADORA3
SCHEMBL22727827 0.66 PDE2A (0.38) ADORA3
SCHEMBL13248346 0.64 TP53 (0.44)
SCHEMBL25054992 0.63 ADORA3 (0.36) ADORA3

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 ADORA3 3133/4885ALOX15 3705/4885

“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.