SCHEMBL798659

SCHEMBL798659

COc1cc(N2CCc3nc(NC(=O)Nc4cc(F)ccc4C(=O)NC(C)C)sc3C2)nc(OC)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.45
NTRK1 P04629 1/20 0.43
PRKDC P78527 1/20 0.43
LMNA P02545 4/20 0.42
TP53 P04637 1/20 0.42
JAK2 O60674 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 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
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
ROCK2 O75116 1/20 0.37
GCK P35557 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL799059 0.94 PIK3CG (0.45) PIK3CGNTRK1PRKDCLMNATP53
SCHEMBL799051 0.90 PIK3CG (0.47) PIK3CGNTRK1PRKDCLMNANPC1
SCHEMBL799055 0.88 PIK3CG (0.49) PIK3CGNTRK1PRKDCNPC1RAB9A
SCHEMBL799276 0.87 PIK3CG (0.46) PIK3CGLMNANPC1RAB9ACYP1A2
SCHEMBL798660 0.87 PIK3CG (0.45) PIK3CGNTRK1PRKDCLMNATP53
SCHEMBL798921 0.86 PIK3CG (0.46) PIK3CGNTRK1PRKDCNPC1RAB9A
SCHEMBL798657 0.85 PIK3CG (0.45) PIK3CGNTRK1PRKDCLMNANPC1
SCHEMBL798941 0.85 PIK3CG (0.43) PIK3CGNTRK1PRKDCLMNANPC1
SCHEMBL798667 0.84 PIK3CG (0.44) PIK3CGNTRK1PRKDCLMNANPC1
SCHEMBL799135 0.84 PIK3CG (0.44) PIK3CGNTRK1PRKDCLMNANPC1

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 16/4885NTRK1 4851/4885PRKDC 777/4885

“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.