SCHEMBL798728

SCHEMBL798728

COc1cc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)NC4CCNCC4)sc3C2)nc(OC)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 11/20 0.43
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
NTRK1 P04629 1/20 0.38
PRKDC P78527 1/20 0.38
MAPT P10636 2/20 0.36
PIK3CD O00329 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 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
SCHEMBL799249 0.96 PIK3CG (0.46) PIK3CGNPC1CYP1A2CYP2D6HPGD
SCHEMBL799280 0.92 PIK3CG (0.43) PIK3CGNPC1CYP1A2CYP2D6HPGD
SCHEMBL799319 0.90 PIK3CG (0.42) PIK3CGNPC1CYP1A2CYP2D6HPGD
SCHEMBL799271 0.89 PIK3CG (0.41) PIK3CGNPC1CYP1A2CYP2D6HPGD
SCHEMBL799070 0.88 PIK3CG (0.48) PIK3CGNPC1CYP1A2CYP2D6HPGD
SCHEMBL799337 0.88 PIK3CG (0.44) PIK3CGNPC1CYP1A2CYP2D6HPGD
SCHEMBL799141 0.88 PIK3CG (0.44) PIK3CGNPC1CYP1A2CYP2D6HPGD
SCHEMBL799051 0.87 PIK3CG (0.47) PIK3CGNPC1CYP1A2CYP2D6HPGD
SCHEMBL799245 0.87 PIK3CG (0.51) PIK3CGNPC1CYP1A2CYP2D6HPGD
SCHEMBL172064 0.87 PIK3CG (0.49) PIK3CGNPC1CYP1A2CYP2D6HPGD

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 16/4885NPC1 1283/4885CYP1A2 4604/4885

“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.