SCHEMBL799090

SCHEMBL799090

COc1nc(Cl)cc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)NC4CCCC4O)sc3C2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.40
RAB9A P51151 3/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HCAR1 Q9BXC0 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
PIK3CD O00329 1/20 0.36
F10 P00742 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ROCK2 O75116 1/20 0.36
KDM4E B2RXH2 1/20 0.36
F2 P00734 2/20 0.35
HCRTR1 O43613 1/20 0.35

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
SCHEMBL10265298 0.93 PIK3CG (0.41) PIK3CGRAB9AMAPTNPC1ALDH1A1
SCHEMBL799141 0.93 PIK3CG (0.44) PIK3CGRAB9AMAPTNPC1ALDH1A1
SCHEMBL799337 0.91 PIK3CG (0.44) PIK3CGRAB9AMAPTNPC1ALDH1A1
SCHEMBL799264 0.87 PIK3CG (0.43) PIK3CGRAB9ANPC1HCAR1CYP1A2
SCHEMBL799275 0.86 HCAR1 (0.41) PIK3CGRAB9AMAPTNPC1HCAR1
SCHEMBL799340 0.86 HCAR1 (0.42) PIK3CGRAB9ANPC1HCAR1CYP1A2
SCHEMBL798932 0.85 PIK3CG (0.51) PIK3CGRAB9ANPC1ALDH1A1GAA
SCHEMBL799249 0.82 PIK3CG (0.46) PIK3CGRAB9AMAPTNPC1GAA
SCHEMBL799091 0.82 PIK3CG (0.40) PIK3CGRAB9ANPC1HCAR1CYP1A2
SCHEMBL798728 0.80 PIK3CG (0.43) PIK3CGRAB9AMAPTNPC1CYP1A2

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 PIK3CG 16/4885RAB9A 1096/4885MAPT 2574/4885

“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.