SCHEMBL798922

SCHEMBL798922

COc1cc(N2CCc3nc(NC(=O)Nc4ccccc4OCCN(C)C)sc3C2)nc(OC)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.46
NTRK1 P04629 1/20 0.41
PRKDC P78527 1/20 0.41
PIK3CD O00329 1/20 0.40
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR3 P51677 1/20 0.38
GCK P35557 1/20 0.38
TP53 P04637 1/20 0.38
JAK2 O60674 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
SCHEMBL799068 0.90 PIK3CG (0.46) PIK3CGNTRK1PRKDCPIK3CDMEN1
SCHEMBL799224 0.89 PIK3CG (0.46) PIK3CGNTRK1PRKDCPIK3CDMEN1
SCHEMBL799123 0.88 PIK3CG (0.46) PIK3CGNTRK1PRKDCPIK3CDMEN1
SCHEMBL799257 0.88 PIK3CG (0.46) PIK3CGNTRK1PRKDCPIK3CDMEN1
SCHEMBL799237 0.88 PIK3CG (0.44) PIK3CGNTRK1PRKDCPIK3CDMEN1
SCHEMBL799214 0.86 PIK3CG (0.47) PIK3CGNTRK1PRKDCPIK3CDMEN1
SCHEMBL798916 0.86 PIK3CG (0.47) PIK3CGNTRK1PRKDCPIK3CDMEN1
SCHEMBL799065 0.85 PIK3CG (0.47) PIK3CGNTRK1PRKDCPIK3CDMEN1
SCHEMBL799092 0.85 PIK3CG (0.51) PIK3CGNTRK1PRKDCPIK3CDMEN1
SCHEMBL12307895 0.84 PIK3CG (0.50) PIK3CGNTRK1PRKDCPIK3CDMEN1

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.