SCHEMBL799237

SCHEMBL799237

COc1cc(N2CCc3nc(NC(=O)Nc4ccccc4OCCC(C)(C)C(=O)O)sc3C2)nc(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 11/20 0.44
NTRK1 P04629 1/20 0.40
PRKDC P78527 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PIK3CD O00329 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
P2RY1 P47900 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
GCK P35557 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL799224 0.90 PIK3CG (0.46) PIK3CGNTRK1PRKDCALDH1A1KMT2A
SCHEMBL798922 0.88 PIK3CG (0.46) PIK3CGNTRK1PRKDCALDH1A1KMT2A
SCHEMBL799068 0.88 PIK3CG (0.46) PIK3CGNTRK1PRKDCALDH1A1KMT2A
SCHEMBL799257 0.88 PIK3CG (0.46) PIK3CGNTRK1PRKDCALDH1A1KMT2A
SCHEMBL798916 0.87 PIK3CG (0.47) PIK3CGNTRK1PRKDCALDH1A1KMT2A
SCHEMBL799123 0.86 PIK3CG (0.46) PIK3CGNTRK1PRKDCALDH1A1KMT2A
SCHEMBL799065 0.85 PIK3CG (0.47) PIK3CGNTRK1PRKDCKMT2APIK3CD
SCHEMBL799067 0.84 PIK3CG (0.49) PIK3CGNTRK1PRKDCALDH1A1KMT2A
SCHEMBL799214 0.84 PIK3CG (0.47) PIK3CGNTRK1PRKDCALDH1A1KMT2A
SCHEMBL799212 0.84 NPC1 (0.49) PIK3CGNTRK1PRKDCALDH1A1KMT2A

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.