SCHEMBL799264

SCHEMBL799264

COc1nc(Cl)cc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)NC(C)C)sc3C2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.43
ROCK2 O75116 2/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
HCAR1 Q9BXC0 1/20 0.40
GCK P35557 1/20 0.40
P2RY1 P47900 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PIK3CD O00329 1/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL799091 0.93 PIK3CG (0.40) PIK3CGROCK2LMNANPC1CYP1A2
SCHEMBL799051 0.92 PIK3CG (0.47) PIK3CGROCK2LMNANPC1CYP1A2
SCHEMBL798930 0.90 PIK3CG (0.45) PIK3CGROCK2HCAR1GCKPIK3CD
SCHEMBL798932 0.90 PIK3CG (0.51) PIK3CGNPC1CYP1A2CYP2D6HPGD
SCHEMBL799118 0.90 PIK3CG (0.42) PIK3CGROCK2LMNANPC1CYP1A2
SCHEMBL798672 0.88 PIK3CG (0.44) PIK3CGLMNANPC1CYP1A2CYP2D6
SCHEMBL799090 0.87 PIK3CG (0.40) PIK3CGROCK2NPC1CYP1A2CYP2D6
SCHEMBL799149 0.86 LMNA (0.43) PIK3CGROCK2LMNANPC1CYP1A2
SCHEMBL799275 0.86 HCAR1 (0.41) PIK3CGROCK2NPC1CYP1A2CYP2D6
SCHEMBL799225 0.85 PIK3CG (0.49) PIK3CGLMNANPC1CYP1A2CYP2D6

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 2264/4885LMNA 4258/4885

“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.