SCHEMBL798660

SCHEMBL798660

COc1cc(N2CCc3nc(NC(=O)Nc4cccc(F)c4C(=O)NC(C)C)sc3C2)nc(OC)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.45
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NTRK1 P04629 1/20 0.42
PRKDC P78527 1/20 0.42
NPC1 O15118 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
ROCK2 O75116 3/20 0.40
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
GCK P35557 1/20 0.38

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
SCHEMBL798921 0.92 PIK3CG (0.46) PIK3CGRAB9AKDM4EMEN1KMT2A
SCHEMBL799051 0.89 PIK3CG (0.47) PIK3CGRAB9AMEN1KMT2ANTRK1
SCHEMBL798659 0.87 PIK3CG (0.45) PIK3CGRAB9AKDM4EMEN1KMT2A
SCHEMBL799059 0.87 PIK3CG (0.45) PIK3CGRAB9AMEN1KMT2AMAPT
SCHEMBL799122 0.85 PIK3CG (0.49) PIK3CGRAB9AKMT2AALDH1A1MAPT
SCHEMBL799114 0.85 PIK3CG (0.49) PIK3CGRAB9AKDM4EMEN1KMT2A
SCHEMBL799266 0.85 PIK3CG (0.45) PIK3CGRAB9AKDM4EMEN1KMT2A
SCHEMBL799276 0.84 PIK3CG (0.46) PIK3CGRAB9AMEN1KMT2AALDH1A1
SCHEMBL799055 0.84 PIK3CG (0.49) PIK3CGRAB9ANTRK1PRKDCNPC1
SCHEMBL798657 0.84 PIK3CG (0.45) PIK3CGRAB9ANTRK1PRKDCNPC1

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 16/4885RAB9A 1096/4885KDM4E 2191/4885

“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.