SCHEMBL799135

SCHEMBL799135

COc1cc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)N[C@@H](C)CO)sc3C2)nc(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.44
NTRK1 P04629 1/20 0.41
PRKDC P78527 1/20 0.41
AXL P30530 1/20 0.40
LMNA P02545 1/20 0.39
GCK P35557 2/20 0.39
ROCK2 O75116 2/20 0.38
NPC1 O15118 1/20 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
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 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
SCHEMBL798667 1.00 PIK3CG (0.44) PIK3CGNTRK1PRKDCAXLLMNA
SCHEMBL799293 1.00 PIK3CG (0.44) PIK3CGNTRK1PRKDCAXLLMNA
SCHEMBL799146 0.95 PIK3CG (0.42) PIK3CGNTRK1PRKDCAXLLMNA
SCHEMBL799053 0.94 PIK3CG (0.43) PIK3CGNTRK1PRKDCLMNAGCK
SCHEMBL798940 0.94 PIK3CG (0.44) PIK3CGNTRK1PRKDCLMNAGCK
SCHEMBL799051 0.93 PIK3CG (0.47) PIK3CGNTRK1PRKDCLMNAGCK
SCHEMBL799142 0.92 PIK3CG (0.42) PIK3CGNTRK1PRKDCLMNAGCK
SCHEMBL799086 0.89 PIK3CG (0.43) PIK3CGNTRK1PRKDCLMNAGCK
SCHEMBL798941 0.89 PIK3CG (0.43) PIK3CGNTRK1PRKDCLMNAGCK
SCHEMBL798645 0.89 PIK3CG (0.45) PIK3CGNTRK1PRKDCLMNAGCK

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.