SCHEMBL798681

SCHEMBL798681

COc1cc(N2CCc3nc(NC(=O)Nc4ccccc4C(O)CCC(C)C)sc3C2)nc(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.44
P2RY1 P47900 5/20 0.40
NTRK1 P04629 1/20 0.40
PRKDC P78527 1/20 0.40
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GCK P35557 2/20 0.38
NPC1 O15118 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
RAB9A P51151 1/20 0.37

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
SCHEMBL799315 0.93 PIK3CG (0.45) PIK3CGP2RY1NTRK1PRKDCALDH1A1
SCHEMBL799114 0.90 PIK3CG (0.49) PIK3CGP2RY1NTRK1PRKDCALDH1A1
SCHEMBL799125 0.88 PIK3CG (0.46) PIK3CGP2RY1NTRK1PRKDCALDH1A1
SCHEMBL799073 0.87 PIK3CG (0.45) PIK3CGP2RY1NTRK1PRKDCALDH1A1
SCHEMBL799068 0.87 PIK3CG (0.46) PIK3CGP2RY1NTRK1PRKDCALDH1A1
SCHEMBL798917 0.87 PIK3CG (0.44) PIK3CGP2RY1NTRK1PRKDCALDH1A1
SCHEMBL798655 0.87 PIK3CG (0.47) PIK3CGP2RY1NTRK1PRKDCALDH1A1
SCHEMBL799122 0.86 PIK3CG (0.49) PIK3CGP2RY1NTRK1PRKDCALDH1A1
SCHEMBL799265 0.86 PIK3CG (0.44) PIK3CGP2RY1NTRK1PRKDCALDH1A1
SCHEMBL799123 0.85 PIK3CG (0.46) PIK3CGP2RY1NTRK1PRKDCALDH1A1

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 16/4885P2RY1 3966/4885NTRK1 4851/4885

“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.