SCHEMBL2539441

SCHEMBL2539441

CCOC(=O)c1sc(-n2cnc3cc(CN4CCN(C)CC4)ccc32)nc1-c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.42
AVPR1B P47901 1/20 0.41
CFTR P13569 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
KCNH2 Q12809 1/20 0.39
DHODH Q02127 3/20 0.38
PDPK1 O15530 1/20 0.37
MCHR1 Q99705 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3C2B O00750 1/20 0.37
RIOK3 O14730 1/20 0.37
DAPK3 O43293 1/20 0.37
PIP5K1C O60331 1/20 0.37
RPS6KA4 O75676 1/20 0.37

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
SCHEMBL2536649 0.94 AXL (0.44) AXLTRPM8AVPR1BCFTRPDE4A
SCHEMBL2541654 0.90 AXL (0.45) AXLAVPR1BKCNH2PDPK1MCHR1
SCHEMBL2492532 0.89 AXL (0.44) AXLAVPR1BPDPK1MCHR1ALDH1A1
SCHEMBL2493948 0.85 PIK3CD (0.46) DHODHALDH1A1MAPTPIK3CDPIK3C2B
SCHEMBL2514349 0.84 AXL (0.45) AXLAVPR1BKCNH2PDPK1MCHR1
SCHEMBL2492510 0.83 PLK1 (0.49) AXLAVPR1BKCNH2PDPK1MCHR1
SCHEMBL2540904 0.82 TRPM8 (0.46) TRPM8CFTRPDE4APDE4BPDE4C
SCHEMBL2538994 0.80 GRM2 (0.45) KCNH2MCHR1PIK3CDPIK3C2BRIOK3
SCHEMBL2538226 0.79 AVPR1B (0.41) TRPM8AVPR1BCFTRPDE4APDE4B
SCHEMBL2545221 0.78 TRPM8 (0.44) TRPM8CFTRPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 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 AXL 1681/4885TRPM8 2617/4885AVPR1B 1111/4885

“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.