SCHEMBL2537200

SCHEMBL2537200

NC(=O)c1sc(-n2cnc3ccc(OCC4CCNCC4)cc32)nc1-c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 10/20 0.46
PLK3 Q9H4B4 4/20 0.46
CHEK2 O96017 2/20 0.42
IRAK4 Q9NWZ3 2/20 0.38
CFTR P13569 1/20 0.37
NEK2 P51955 3/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR3A P46098 1/20 0.37
KCNH2 Q12809 1/20 0.37
CHRM1 P11229 1/20 0.37
LRRK2 Q5S007 1/20 0.37
EP300 Q09472 1/20 0.36
PIK3CD O00329 1/20 0.36
NUAK1 O60285 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL2538229 0.90 PLK1 (0.57) PLK1PLK3CFTRNEK2PIK3CD
SCHEMBL2539244 0.89 PLK1 (0.49) PLK1PLK3CHEK2IRAK4NEK2
SCHEMBL2538231 0.87 PLK1 (0.45) PLK1PLK3IRAK4NEK2PIK3CD
SCHEMBL2539260 0.87 PLK1 (0.42) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL2493954 0.86 CHEK2 (0.47) PLK1PLK3CHEK2NEK2PIK3CD
SCHEMBL2538071 0.86 PLK1 (0.43) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL2491218 0.84 PLK1 (0.44) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL2540418 0.83 PLK1 (0.43) PLK1PLK3NEK2
SCHEMBL2525684 0.83 PLK1 (0.47) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL2537209 0.83 PLK1 (0.51) PLK1PLK3NEK2

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 8 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 claimed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US claimed
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
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
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 PLK1 2782/4885PLK3 1584/4885CHEK2 2255/4885

“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.