SCHEMBL799348

SCHEMBL799348

Cc1cc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)N[C@H](C)CO)sc3C2)nc(C#N)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.39
LMNA P02545 3/20 0.38
PIK3CG P48736 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GCK P35557 2/20 0.37
GAA P10253 1/20 0.37
P2RY1 P47900 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
F10 P00742 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
SCHEMBL798950 1.00 ROCK2 (0.39) ROCK2LMNAPIK3CGALDH1A1POLB
SCHEMBL799343 0.93 LMNA (0.42) ROCK2LMNAPIK3CGALDH1A1POLB
SCHEMBL798945 0.90 P2RY1 (0.40) LMNAPIK3CGALDH1A1POLBGCK
SCHEMBL798946 0.90 P2RY1 (0.40) LMNAPIK3CGALDH1A1POLBGCK
SCHEMBL798724 0.84 PIK3CG (0.49) ROCK2PIK3CGGCK
SCHEMBL799135 0.83 PIK3CG (0.44) ROCK2LMNAPIK3CGALDH1A1POLB
SCHEMBL799293 0.83 PIK3CG (0.44) ROCK2LMNAPIK3CGALDH1A1POLB
SCHEMBL798667 0.83 PIK3CG (0.44) ROCK2LMNAPIK3CGALDH1A1POLB
SCHEMBL172152 0.82 LMNA (0.43) ROCK2LMNAPIK3CGALDH1A1POLB
SCHEMBL799149 0.82 LMNA (0.43) ROCK2LMNAPIK3CGALDH1A1POLB

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 ROCK2 2264/4885LMNA 4258/4885PIK3CG 16/4885

“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.