SCHEMBL6694860

SCHEMBL6694860

Cc1ccc(NC(=O)Nc2ncc(CCNC(=N)N)s2)c(C(=O)C2CCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.39
MAPK13 O15264 5/20 0.39
AURKA O14965 3/20 0.38
AURKB Q96GD4 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
OGA O60502 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
SCHEMBL6697389 0.93 MAPK14 (0.40) MAPK14MAPK13AURKAAURKBSMN1; SMN2
SCHEMBL2649615 0.93 MAPK14 (0.36) MAPK14MAPK13AURKAAURKBSMN1; SMN2
SCHEMBL1341749 0.91 SMN1; SMN2 (0.38) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1340443 0.91 MAPK14 (0.40) MAPK14MAPK13AURKAAURKBSMN1; SMN2
SCHEMBL1343592 0.89 MAPK14 (0.40) MAPK14MAPK13AURKAAURKBSMN1; SMN2
SCHEMBL6696998 0.87 MAPK14 (0.40) MAPK14MAPK13AURKAAURKBSMN1; SMN2
SCHEMBL2649620 0.86 MAPK14 (0.33) MAPK14MAPK13AURKAAURKB
SCHEMBL1342766 0.86 SMN1; SMN2 (0.39) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1341694 0.86 SMN1; SMN2 (0.40) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1342322 0.85 MAPK14 (0.40) MAPK14MAPK13AURKAAURKBSMN1; SMN2

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-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 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-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 MAPK14 1028/4885MAPK13 687/4885AURKA 3432/4885

“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.