SCHEMBL2374570

SCHEMBL2374570

COC(=O)C(CO)NCc1ccc(-c2ccncc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.48
ROCK2 O75116 6/20 0.42
PDCD1 Q15116 3/20 0.42
CD274 Q9NZQ7 3/20 0.42
ROCK1 Q13464 5/20 0.42
PRKACA P17612 4/20 0.42
PRKX P51817 4/20 0.42
CLK4 Q9HAZ1 4/20 0.42
PRKG1 Q13976 3/20 0.42
PKN2 Q16513 3/20 0.42
GSK3A P49840 3/20 0.42
GSK3B P49841 3/20 0.42
RPS6KB1 P23443 2/20 0.42
PRKG2 Q13237 2/20 0.42
RPS6KA5 O75582 2/20 0.42
MAPK1 P28482 2/20 0.42
SGK2 Q9HBY8 2/20 0.42
AKT1 P31749 2/20 0.42
MAP4K4 O95819 1/20 0.42
PRKCG P05129 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
SCHEMBL2374561 1.00 PPID (0.48) PPIDROCK2PDCD1CD274ROCK1
SCHEMBL2373586 0.81 CYP2D6 (0.44) PDCD1CD274GSK3AGSK3BDYRK1A
SCHEMBL2373591 0.81 CYP2D6 (0.44) PDCD1CD274GSK3AGSK3BDYRK1A
SCHEMBL2374058 0.80 PPID (0.44) PPIDROCK2ROCK1PRKACAPRKX
SCHEMBL2374062 0.80 PPID (0.44) PPIDROCK2ROCK1PRKACAPRKX
SCHEMBL25260132 0.80 ALDH1A1 (0.46) PDCD1CD274
SCHEMBL3315713 0.80 ALDH1A1 (0.46) PDCD1CD274
SCHEMBL2376148 0.80 PPID (0.41) PPIDROCK2ROCK1PRKACAPRKX
SCHEMBL14636601 0.79 ATM (0.56) PDCD1CD274CYP2C9POLB
SCHEMBL304265 0.79 ATM (0.56) PDCD1CD274CYP2C9POLB

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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 PPID 654/4885ROCK2 1027/4885PDCD1 4208/4885

“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.