SCHEMBL172043

SCHEMBL172043

COc1cc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)NC(C)C)sc3C2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 13/20 0.50
LMNA P02545 3/20 0.43
NTRK1 P04629 1/20 0.42
PRKDC P78527 1/20 0.42
PIK3CD O00329 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
GCK P35557 1/20 0.40
JAK2 O60674 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL799269 0.92 PIK3CG (0.51) PIK3CGLMNANTRK1PRKDCPIK3CD
SCHEMBL169977 0.88 PIK3CG (0.66) PIK3CGLMNANTRK1PRKDCPIK3CD
SCHEMBL799274 0.88 PIK3CG (0.53) PIK3CGLMNANPC1CYP1A2CYP2D6
SCHEMBL172045 0.88 PIK3CG (0.54) PIK3CGLMNANPC1CYP1A2CYP2D6
SCHEMBL799282 0.86 PIK3CG (0.47) PIK3CGLMNANPC1CYP1A2CYP2D6
SCHEMBL798672 0.85 PIK3CG (0.44) PIK3CGLMNANTRK1PRKDCNPC1
SCHEMBL798644 0.85 PIK3CG (0.66) PIK3CGLMNANTRK1PRKDCPIK3CD
SCHEMBL798914 0.85 PIK3CG (0.51) PIK3CGLMNANTRK1PRKDCNPC1
SCHEMBL172096 0.85 PIK3CG (0.66) PIK3CGLMNANTRK1PRKDCPIK3CD
SCHEMBL799051 0.85 PIK3CG (0.47) PIK3CGLMNANTRK1PRKDCNPC1

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 3 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
EP-2426135-A1 UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-03-07 EP 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 16/4885LMNA 4258/4885NTRK1 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.