SCHEMBL799050

SCHEMBL799050

COc1cc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)N4CCCCC4)sc3C2)nc(OC)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GCK P35557 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 1/20 0.41
NTRK1 P04629 1/20 0.40
PRKDC P78527 1/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL798909 0.93 PIK3CG (0.45) PIK3CGSMN1; SMN2KMT2ANTRK1PRKDC
SCHEMBL172064 0.90 PIK3CG (0.49) PIK3CGSMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL798908 0.90 PIK3CG (0.49) PIK3CGSMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL799210 0.90 PIK3CG (0.49) PIK3CGSMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL799245 0.90 PIK3CG (0.51) PIK3CGSMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL799051 0.89 PIK3CG (0.47) PIK3CGGCKCYP1A2CYP2C19KMT2A
SCHEMBL799070 0.88 PIK3CG (0.48) PIK3CGSMN1; SMN2GCKCYP1A2CYP2C19
SCHEMBL799326 0.88 PIK3CG (0.48) PIK3CGCYP1A2CYP2C19KMT2ANTRK1
SCHEMBL798637 0.88 PIK3CG (0.47) PIK3CGSMN1; SMN2GCKCYP1A2CYP2C19
SCHEMBL799230 0.88 PIK3CG (0.47) PIK3CGGCKCYP1A2CYP2C19NTRK1

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 16/4885SMN1; SMN2 3011/4885GCK 786/4885

“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.