SCHEMBL5713530

SCHEMBL5713530

Cc1ccc2nc(NC(=O)c3ccccc3)sc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.75
LRRK2 Q5S007 2/20 0.72
NPC1 O15118 7/20 0.71
RAB9A P51151 7/20 0.71
SCD O00767 5/20 0.71
MAPT P10636 3/20 0.71
OPRK1 P41145 1/20 0.71
HTT P42858 1/20 0.71
SMN1; SMN2 Q16637 5/20 0.70
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
DYRK1A Q13627 1/20 0.68
ALDH1A1 P00352 3/20 0.67
KDM4E B2RXH2 2/20 0.67
TP53 P04637 2/20 0.67
NFKB1 P19838 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
HSD17B10 Q99714 1/20 0.67
HPGD P15428 1/20 0.67

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
SCHEMBL13329390 0.92 MAP3K5 (0.83) MAP3K5LRRK2NPC1RAB9ASCD
SCHEMBL12199516 0.89 MAP3K5 (0.68) MAP3K5LRRK2NPC1RAB9ASCD
SCHEMBL12199489 0.89 MAP3K5 (0.68) MAP3K5LRRK2NPC1RAB9ASCD
SCHEMBL17916689 0.88 SCD (0.67) MAP3K5LRRK2NPC1RAB9ASCD
Bromide SCHEMBL2482871 0.88 MAP3K5 (0.67) MAP3K5LRRK2NPC1RAB9ASCD
SCHEMBL2483622 0.88 MAP3K5 (0.77) MAP3K5LRRK2NPC1RAB9ASCD
SCHEMBL21681916 0.87 MAP3K5 (0.69) MAP3K5LRRK2NPC1RAB9ASCD
SCHEMBL12199508 0.87 SCD (0.65) MAP3K5LRRK2NPC1RAB9ASCD
SCHEMBL12199335 0.87 MAP3K5 (0.76) MAP3K5LRRK2NPC1RAB9ASCD
SCHEMBL12225800 0.87 MAP3K5 (0.76) MAP3K5LRRK2NPC1RAB9ASCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100420678-C Cyclization process for substituted benzothiazole derivatives HOFFMANN LA ROCHE (CH) 2008-09-24 CN disclosed
EP-1583752-B1 CYCLIZATION PROCESS FOR SUBSTITUTED BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-08-16 EP disclosed
US-7087761-B2 Cyclization process for substituted benzothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-08 US disclosed
CN-1738808-A Cyclization process for substituted benzothiazole derivatives HOFFMANN LA ROCHE (CH) 2006-02-22 CN disclosed
EP-1583752-A2 CYCLIZATION PROCESS FOR SUBSTITUTED BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
WO-2004060879-A2 CYCLIZATION PROCESS FOR SUBSTITUTED BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO disclosed
US-20040138465-A1 Cyclization process for substituted benzothiazole derivatives HOFFMANN-LA ROCHE INC. 2004-07-15 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-20040138465-A1 Cyclization process for substituted benzothiazole derivatives CBR3, CBR1, OXTR MAP3K5 3724/4885LRRK2 2042/4885NPC1 962/4885

“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.