SCHEMBL5044310

SCHEMBL5044310

COc1ccc(-c2nc(-c3cc(C(=O)NN4CCOCC4)c(C)n3CC3CCCCC3)cs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.48
CDC25B P30305 2/20 0.48
CDC25C P30307 2/20 0.48
DUSP3 P51452 2/20 0.48
ALDH1A1 P00352 6/20 0.42
LMNA P02545 5/20 0.42
MAPT P10636 5/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
CRHBP P24387 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KLKB1 P03952 1/20 0.42
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
KDM4E B2RXH2 3/20 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
SCHEMBL5043827 0.94 CDC25A (0.47) CDC25ACDC25BCDC25CDUSP3ALDH1A1
SCHEMBL5047169 0.89 CDC25A (0.48) CDC25ACDC25BCDC25CDUSP3ALDH1A1
SCHEMBL5044905 0.86 MEN1 (0.58) CDC25ACDC25BCDC25CDUSP3ALDH1A1
SCHEMBL5044926 0.86 MEN1 (0.56) CDC25ACDC25BCDC25CDUSP3ALDH1A1
SCHEMBL5047817 0.86 MEN1 (0.58) CDC25ACDC25BCDC25CDUSP3ALDH1A1
SCHEMBL5047596 0.86 KLKB1 (0.49) CDC25ACDC25BCDC25CDUSP3ALDH1A1
SCHEMBL5049152 0.85 MEN1 (0.57) CDC25ACDC25BCDC25CDUSP3ALDH1A1
SCHEMBL5039301 0.85 CDC25A (0.49) CDC25ACDC25BCDC25CDUSP3ALDH1A1
SCHEMBL6471189 0.85 MAPT (0.50) CDC25ACDC25BCDC25CDUSP3ALDH1A1
SCHEMBL5048562 0.85 ALDH1A1 (0.51) CDC25ACDC25BCDC25CDUSP3ALDH1A1

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
EP-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1583762-A1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US disclosed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 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 (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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R CDC25A 1091/4885CDC25B 1444/4885CDC25C 1386/4885

“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.