SCHEMBL799275

SCHEMBL799275

COc1nc(Cl)cc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)NC4CCCOC4)sc3C2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 3/20 0.41
PIK3CG P48736 7/20 0.38
PIK3CD O00329 1/20 0.38
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
F10 P00742 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
ROCK2 O75116 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 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
SCHEMBL799340 0.96 HCAR1 (0.42) HCAR1PIK3CGPIK3CDNPC1CYP1A2
SCHEMBL799271 0.93 PIK3CG (0.41) HCAR1PIK3CGPIK3CDNPC1CYP1A2
SCHEMBL799319 0.89 PIK3CG (0.42) HCAR1PIK3CGPIK3CDNPC1CYP1A2
SCHEMBL799090 0.86 PIK3CG (0.40) HCAR1PIK3CGPIK3CDNPC1CYP1A2
SCHEMBL799264 0.86 PIK3CG (0.43) HCAR1PIK3CGPIK3CDNPC1CYP1A2
SCHEMBL799280 0.85 PIK3CG (0.43) HCAR1PIK3CGPIK3CDNPC1CYP1A2
SCHEMBL798932 0.83 PIK3CG (0.51) HCAR1PIK3CGPIK3CDNPC1CYP1A2
SCHEMBL799249 0.83 PIK3CG (0.46) PIK3CGPIK3CDNPC1CYP1A2CYP2D6
SCHEMBL798728 0.81 PIK3CG (0.43) PIK3CGPIK3CDNPC1CYP1A2CYP2D6
SCHEMBL799091 0.81 PIK3CG (0.40) HCAR1PIK3CGPIK3CDNPC1CYP1A2

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 HCAR1 3453/4885PIK3CG 16/4885PIK3CD 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.