SCHEMBL6695898

SCHEMBL6695898

Cc1ccc(NC(=O)Nc2ncc(CNc3nncs3)s2)c(OCC(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
LPAR1 Q92633 2/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PTPRE P23469 1/20 0.34
MAPK14 Q16539 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ABL1 P00519 1/20 0.34
MYC P01106 1/20 0.34
MAX P61244 1/20 0.34
MAPK13 O15264 1/20 0.34
PKM P14618 1/20 0.33

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
SCHEMBL1340721 0.87 MAPK14 (0.39) LPAR1AURKAAURKBPTPREMAPK14
SCHEMBL1342347 0.86 KDM4E (0.41) MAPTTSHRPOLBLPAR1KDM4E
SCHEMBL1341613 0.84 LPAR1 (0.39) MAPTLPAR1MAPK14MYCMAX
SCHEMBL1343714 0.84 LPAR1 (0.38) MAPTLPAR1MAPK14MYCMAX
SCHEMBL1342739 0.84 LPAR1 (0.40) MAPTLPAR1MAPK14MYCMAX
SCHEMBL1342613 0.83 KDR (0.42) LPAR1MAPK14PKM
SCHEMBL1343415 0.83 IDH2 (0.38) MAPTPOLBLPAR1MAPK14MYC
SCHEMBL1342497 0.82 ITGB1 (0.42) MAPTTSHRLPAR1MAPK14MYC
SCHEMBL1343242 0.82 LPAR1 (0.37) MAPTPOLBLPAR1MAPK14MYC
SCHEMBL1342849 0.82 LPAR1 (0.39) MAPTPOLBLPAR1KDM4EPTPRE

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 MAPT 2678/4885TSHR 2745/4885GAA 48/4885

“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.