SCHEMBL2373510

SCHEMBL2373510

CCOC(=O)C(Cc1ncccn1)NCc1ccc(-c2ccncc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.50
NLRP3 Q96P20 3/20 0.45
GPR142 Q7Z601 2/20 0.41
ROCK2 O75116 3/20 0.41
ROCK1 Q13464 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
HDAC1 Q13547 1/20 0.40
CDC7 O00311 4/20 0.40
DBF4 Q9UBU7 4/20 0.40
CYP26A1 O43174 1/20 0.39
HPGD P15428 1/20 0.39
RPS6KA5 O75582 1/20 0.39
MAP4K4 O95819 1/20 0.39
PRKCG P05129 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
MAPK1 P28482 1/20 0.39
AKT1 P31749 1/20 0.39

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
SCHEMBL2374130 0.80 PPID (0.47) PPIDGPR142ROCK2ROCK1CYP3A4
SCHEMBL2374561 0.74 PPID (0.48) PPIDGPR142ROCK2ROCK1CYP3A4
SCHEMBL2374570 0.74 PPID (0.48) PPIDGPR142ROCK2ROCK1CYP3A4
SCHEMBL1931193 0.73 MMP8 (0.56) PPID
SCHEMBL13915549 0.73 MMP8 (0.56) PPID
SCHEMBL28699378 0.71 BACE1 (0.54) TSHR
SCHEMBL29176945 0.71 ALDH1A1 (0.50) CYP2D6HDAC1MAPK1
SCHEMBL2376148 0.70 PPID (0.41) PPIDGPR142ROCK2ROCK1CYP3A4
SCHEMBL29788300 0.70 MAPT (0.49) PPIDCYP3A4MAPK1TSHR
SCHEMBL2374193 0.70 PPID (0.42) PPIDGPR142ROCK2HDAC1

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 654/4885NLRP3 1203/4885GPR142 3414/4885

“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.