SCHEMBL2485280

SCHEMBL2485280

CNC(=O)N(Cl)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
KCNA5 P22460 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NOTUM Q6P988 1/20 0.38
APP P05067 1/20 0.38
HCAR3 P49019 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL27750464 0.78 LMNA (0.42) ALDH1A1HTTL3MBTL1CYP3A4MAPT
SCHEMBL25752263 0.78 HTT (0.55) MKNK1MKNK2GAAHPGDKCNA5
SCHEMBL27677128 0.77 F7 (0.48) MKNK1MKNK2GAAHPGDKCNA5
SCHEMBL14324469 0.76 MKNK1 (0.40) MKNK1MKNK2GAAHPGDALDH1A1
SCHEMBL10857082 0.75 ALDH1A1 (0.41) MKNK1MKNK2GAAHPGDKCNA5
SCHEMBL23253090 0.74 MKNK1 (0.48) MKNK1MKNK2GAAHPGDALDH1A1
SCHEMBL2485281 0.73 NOTUM (0.47) GAAHPGDKCNA5ALDH1A1HTT
SCHEMBL28888014 0.73 RAB9A (0.43) GAAHPGDKCNA5ALDH1A1HTT
SCHEMBL2488107 0.71 NOTUM (0.48) GAAHPGDKCNA5ALDH1A1HTT
SCHEMBL16295458 0.70 NOTUM (0.50) GAAHPGDKCNA5ALDH1A1HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 US disclosed
US-20130317027-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2013-11-28 US disclosed
EP-2542086-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Myrexis, Inc. (US) 2013-01-09 EP disclosed
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-12-27 US disclosed
WO-2011109441-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2011-09-09 WO 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 (3 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-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 MKNK1 1782/4885MKNK2 1999/4885GAA 1103/4885
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 MKNK1 1782/4885MKNK2 1999/4885GAA 1103/4885
US-20130317027-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 MKNK1 1782/4885MKNK2 1999/4885GAA 1103/4885

“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.