SCHEMBL798932

SCHEMBL798932

CCNC(=O)c1ccccc1NC(=O)Nc1nc2c(s1)CN(c1cc(Cl)nc(OC)n1)CC2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.51
PIK3CD O00329 1/20 0.43
HCAR1 Q9BXC0 2/20 0.43
F10 P00742 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 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
P2RY1 P47900 2/20 0.39
NTRK1 P04629 1/20 0.39
PRKDC P78527 1/20 0.39
GCK P35557 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
SCHEMBL799071 0.92 PIK3CG (0.52) PIK3CGPIK3CDHCAR1F10ALDH1A1
SCHEMBL798931 0.91 PIK3CG (0.53) PIK3CGPIK3CDHCAR1F10NTRK1
SCHEMBL799264 0.90 PIK3CG (0.43) PIK3CGPIK3CDHCAR1F10NPC1
SCHEMBL799091 0.86 PIK3CG (0.40) PIK3CGPIK3CDHCAR1NPC1CYP1A2
SCHEMBL799090 0.85 PIK3CG (0.40) PIK3CGPIK3CDHCAR1F10ALDH1A1
SCHEMBL799340 0.85 HCAR1 (0.42) PIK3CGPIK3CDHCAR1F10NPC1
SCHEMBL798665 0.84 PIK3CG (0.45) PIK3CGPIK3CDF10ALDH1A1POLB
SCHEMBL798926 0.84 PIK3CG (0.47) PIK3CGPIK3CDF10GAANPC1
SCHEMBL799290 0.84 PIK3CG (0.45) PIK3CGPIK3CDF10ALDH1A1POLB
SCHEMBL799289 0.84 PIK3CG (0.45) PIK3CGPIK3CDF10ALDH1A1GAA

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 16/4885PIK3CD 10/4885HCAR1 3453/4885

“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.