SCHEMBL798644

SCHEMBL798644

COc1cncc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)NC(C)C)sc3C2)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 13/20 0.66
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
GCK P35557 1/20 0.43
PIK3CD O00329 1/20 0.43
JAK2 O60674 1/20 0.42
NTRK1 P04629 1/20 0.42
PRKDC P78527 1/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL172045 0.92 PIK3CG (0.54) PIK3CGNPC1RAB9ACYP1A2CYP2D6
SCHEMBL799274 0.91 PIK3CG (0.53) PIK3CGNPC1RAB9ACYP1A2CYP2D6
SCHEMBL799081 0.89 PIK3CG (0.51) PIK3CGGCKJAK2LMNAMEN1
SCHEMBL799087 0.89 PIK3CG (0.51) PIK3CGGCKLMNAMEN1KMT2A
SCHEMBL799272 0.89 PIK3CG (0.51) PIK3CGGCKLMNA
SCHEMBL799269 0.88 PIK3CG (0.51) PIK3CGNPC1RAB9ACYP1A2CYP2D6
SCHEMBL798939 0.87 PIK3CG (0.50) PIK3CGGCKPIK3CDJAK2LMNA
SCHEMBL172096 0.87 PIK3CG (0.66) PIK3CGPIK3CDJAK2NTRK1PRKDC
SCHEMBL171977 0.87 PIK3CG (0.49) PIK3CGGCKPIK3CDLMNAMEN1
SCHEMBL171964 0.86 PIK3CG (0.47) PIK3CGNPC1RAB9ACYP1A2CYP2D6

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 16/4885NPC1 1283/4885RAB9A 1096/4885

“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.