SCHEMBL798678

SCHEMBL798678

COc1ccc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)NC(C)CO)sc3C2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 11/20 0.47
ROCK2 O75116 5/20 0.46
PIK3CD O00329 1/20 0.45
ALOX15 P16050 1/20 0.44
JAK2 O60674 1/20 0.43
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL799299 0.90 PIK3CG (0.62) PIK3CGROCK2PIK3CDJAK2LMNA
SCHEMBL799317 0.88 LMNA (0.43) PIK3CGJAK2LMNAALDH1A1
SCHEMBL799311 0.87 PIK3CG (0.44) PIK3CGJAK2LMNAALDH1A1
SCHEMBL798937 0.86 PIK3CG (0.44) PIK3CGJAK2LMNAALDH1A1
SCHEMBL799347 0.86 GCK (0.48) PIK3CGPIK3CDLMNAALDH1A1
SCHEMBL799137 0.85 PIK3CG (0.42) PIK3CGJAK2LMNAALDH1A1
SCHEMBL798962 0.85 P2RY1 (0.43) PIK3CGLMNAALDH1A1
SCHEMBL799355 0.85 P2RY1 (0.43) PIK3CGLMNAALDH1A1
SCHEMBL798667 0.84 PIK3CG (0.44) PIK3CGROCK2LMNAALDH1A1
SCHEMBL799135 0.84 PIK3CG (0.44) PIK3CGROCK2LMNAALDH1A1

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 2 patents. 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
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 PIK3CG 16/4885ROCK2 2264/4885PIK3CD 10/4885

“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.