SCHEMBL799320

SCHEMBL799320

COc1cc(N2CCc3nc(NC(=O)Nc4ccccc4N4CCOCC4)sc3C2)nc(OC)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.47
HCAR1 Q9BXC0 2/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
P2RY1 P47900 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
SCHEMBL799326 0.92 PIK3CG (0.48) PIK3CGRAB9AL3MBTL1NPSR1P2RY1
SCHEMBL798909 0.89 PIK3CG (0.45) PIK3CGHCAR1TSHRLMNASMN1; SMN2
SCHEMBL799273 0.88 PIK3CG (0.44) PIK3CGHCAR1RAB9AALDH1A1
SCHEMBL799092 0.87 PIK3CG (0.51) PIK3CGRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL12307895 0.86 PIK3CG (0.50) PIK3CGRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL799245 0.86 PIK3CG (0.51) PIK3CGHCAR1RAB9ALMNAALDH1A1
SCHEMBL799122 0.86 PIK3CG (0.49) PIK3CGRAB9AALDH1A1NPSR1P2RY1
SCHEMBL799067 0.86 PIK3CG (0.49) PIK3CGRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL172064 0.86 PIK3CG (0.49) PIK3CGRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL798908 0.86 PIK3CG (0.49) PIK3CGRAB9AALDH1A1SMN1; SMN2KDM4E

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 16/4885HCAR1 3453/4885TSHR 3954/4885

“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.