SCHEMBL2529082

SCHEMBL2529082

CC(C)(N)C(=O)NC1CCN(Cc2ccc3ncn(-c4nc(-c5cccc(Cl)c5)c(C(N)=O)s4)c3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.40
CCR3 P51677 2/20 0.40
SIGMAR1 Q99720 4/20 0.39
PIK3CD O00329 1/20 0.39
PIK3C2B O00750 1/20 0.39
RIOK3 O14730 1/20 0.39
DAPK3 O43293 1/20 0.39
PIP5K1C O60331 1/20 0.39
RPS6KA4 O75676 1/20 0.39
STK10 O94804 1/20 0.39
PRKD3 O94806 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
PIM1 P11309 1/20 0.39
CSNK2A2 P19784 1/20 0.39
GRK4 P32298 1/20 0.39
TIE1 P35590 1/20 0.39
FLT3 P36888 1/20 0.39
PRKCI P41743 1/20 0.39
PIK3CB P42338 1/20 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
SCHEMBL12228074 0.91 MCHR1 (0.40) MCHR1CCR3SIGMAR1PIK3CDPIK3C2B
SCHEMBL2513905 0.91 PLK1 (0.38) MCHR1CCR3SIGMAR1PIK3CDPIK3C2B
SCHEMBL2488963 0.89 NPC1 (0.44) MCHR1CCR3PIK3CDPIK3C2BRIOK3
SCHEMBL2491486 0.88 GRM2 (0.40) MCHR1CCR3PIK3CDPIK3C2BRIOK3
SCHEMBL2492510 0.85 PLK1 (0.49) MCHR1PIK3CDPIK3C2BRIOK3DAPK3
SCHEMBL2539009 0.85 MCHR1 (0.43) MCHR1PIK3CDPIK3C2BRIOK3DAPK3
SCHEMBL2490863 0.84 JAK2 (0.46) MCHR1PIK3CDPIK3C2BRIOK3DAPK3
SCHEMBL2533110 0.83 PLK1 (0.42) MCHR1PIK3CDPIK3C2BRIOK3DAPK3
SCHEMBL2544195 0.82 MAP4K4 (0.41) PIK3CDPIK3C2BRIOK3DAPK3PIP5K1C
SCHEMBL2491948 0.80 ACSS2 (0.40) PIK3CDPDGFRBPIM1FLT3NEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379543-A2 THIAZOLYL-BENZIMIDAZOLES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP claimed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US claimed
WO-2010121675-A2 THIAZOLYL-BENZIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO claimed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US claimed
EP-2379543-A2 THIAZOLYL-BENZIMIDAZOLES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
WO-2010121675-A2 THIAZOLYL-BENZIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 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-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 MCHR1 3894/4885CCR3 3149/4885SIGMAR1 1586/4885

“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.