SCHEMBL799338

SCHEMBL799338

Cc1cc(N2CCc3nc(NC(=O)Nc4cn(C)nc4C(=O)NC(C)C)sc3C2)nc(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 11/20 0.41
PIK3CD O00329 1/20 0.39
JAK2 O60674 1/20 0.37
ROCK2 O75116 3/20 0.36
HCAR1 Q9BXC0 1/20 0.36
NTRK1 P04629 1/20 0.36
PRKDC P78527 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL805069 0.92 PIK3CG (0.40) PIK3CGPIK3CDJAK2ROCK2NTRK1
SCHEMBL799155 0.90 ROCK2 (0.39) PIK3CGPIK3CDROCK2NTRK1PRKDC
SCHEMBL799149 0.85 LMNA (0.43) PIK3CGPIK3CDROCK2HCAR1KDM4E
SCHEMBL799301 0.84 PIK3CG (0.46) PIK3CGPIK3CDJAK2ROCK2NTRK1
SCHEMBL798720 0.80 GCK (0.50) PIK3CGPIK3CDJAK2ROCK2KDM4E
SCHEMBL798945 0.79 P2RY1 (0.40) PIK3CGPIK3CDHCAR1KDM4ENPC1
SCHEMBL798946 0.79 P2RY1 (0.40) PIK3CGPIK3CDHCAR1KDM4ENPC1
SCHEMBL798713 0.79 PIK3CG (0.43) PIK3CGPIK3CDJAK2ROCK2NTRK1
SCHEMBL799157 0.79 PIK3CG (0.48) PIK3CGPIK3CDJAK2ROCK2KDM4E
SCHEMBL798708 0.79 PIK3CG (0.48) PIK3CGPIK3CDJAK2NTRK1PRKDC

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 1 patent. 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

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 16/4885PIK3CD 10/4885JAK2 57/4885

“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.