SCHEMBL798945

SCHEMBL798945

Cc1cc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)N[C@@H](C)CO)sc3C2)nc(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 5/20 0.40
F10 P00742 1/20 0.40
LMNA P02545 3/20 0.39
PIK3CG P48736 3/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 3/20 0.38
HCAR1 Q9BXC0 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
PIK3CD O00329 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GCK P35557 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 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
SCHEMBL798946 1.00 P2RY1 (0.40) P2RY1F10LMNAPIK3CGALDH1A1
SCHEMBL799149 0.93 LMNA (0.43) P2RY1F10LMNAPIK3CGALDH1A1
SCHEMBL798950 0.90 ROCK2 (0.39) P2RY1F10LMNAPIK3CGALDH1A1
SCHEMBL799348 0.90 ROCK2 (0.39) P2RY1F10LMNAPIK3CGALDH1A1
SCHEMBL798719 0.86 F10 (0.42) P2RY1F10PIK3CGALDH1A1POLB
SCHEMBL799293 0.84 PIK3CG (0.44) LMNAPIK3CGALDH1A1POLBGAA
SCHEMBL799135 0.84 PIK3CG (0.44) LMNAPIK3CGALDH1A1POLBGAA
SCHEMBL798667 0.84 PIK3CG (0.44) LMNAPIK3CGALDH1A1POLBGAA
SCHEMBL172152 0.83 LMNA (0.43) P2RY1LMNAPIK3CGALDH1A1POLB
SCHEMBL798937 0.83 PIK3CG (0.44) P2RY1LMNAPIK3CGALDH1A1POLB

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 P2RY1 3966/4885F10 3929/4885LMNA 4258/4885

“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.