SCHEMBL798719

SCHEMBL798719

Cc1cc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)NCC#N)sc3C2)nc(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.42
PIK3CG P48736 6/20 0.41
PIK3CD O00329 1/20 0.39
GAA P10253 2/20 0.39
HCAR1 Q9BXC0 2/20 0.38
P2RY1 P47900 4/20 0.38
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL799149 0.87 LMNA (0.43) F10PIK3CGPIK3CDGAAHCAR1
SCHEMBL798945 0.86 P2RY1 (0.40) F10PIK3CGPIK3CDGAAHCAR1
SCHEMBL798946 0.86 P2RY1 (0.40) F10PIK3CGPIK3CDGAAHCAR1
SCHEMBL799290 0.84 PIK3CG (0.45) F10PIK3CGPIK3CDGAAALDH1A1
SCHEMBL799343 0.81 LMNA (0.42) PIK3CGALDH1A1RAB9ANPC1KDM4E
SCHEMBL798950 0.80 ROCK2 (0.39) F10PIK3CGGAAP2RY1ALDH1A1
SCHEMBL799348 0.80 ROCK2 (0.39) F10PIK3CGGAAP2RY1ALDH1A1
SCHEMBL799353 0.80 GCK (0.45) PIK3CGGAAALDH1A1RAB9ANPC1
SCHEMBL798732 0.79 PIK3CG (0.51) PIK3CGPIK3CDGAARAB9ANPC1
SCHEMBL798676 0.78 F10 (0.42) F10PIK3CGPIK3CDGAAHCAR1

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 F10 3929/4885PIK3CG 16/4885PIK3CD 10/4885

“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.