SCHEMBL2884466

SCHEMBL2884466

O=C1Cc2ccccc2C2(CCN(c3nc4nc(-c5ccccc5)ncc4[nH]3)CC2)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 12/20 0.49
TNKS O95271 2/20 0.39
TNKS2 Q9H2K2 2/20 0.39
HRH3 Q9Y5N1 1/20 0.37
PTPN11 Q06124 1/20 0.36
HTR2B P41595 1/20 0.35
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
MET P08581 1/20 0.34
PDGFRB P09619 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34

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
SCHEMBL2889544 0.93 NPY5R (0.42) NPY5RTNKSTNKS2HRH3PTPN11
SCHEMBL2884996 0.87 NPY5R (0.43) NPY5RTNKSTNKS2
SCHEMBL2884465 0.85 NPY5R (0.51) NPY5RTNKSTNKS2HRH3HTR2B
SCHEMBL2890569 0.81 NPY5R (0.42) NPY5RHTR2BCHEK1AURKADAPK3
SCHEMBL2886740 0.79 NPY5R (0.63) NPY5R
SCHEMBL2885859 0.79 NPY5R (0.53) NPY5RTNKSTNKS2HTR2BHCRTR1
SCHEMBL2889543 0.78 NPY5R (0.44) NPY5RTNKSTNKS2HRH3
SCHEMBL2524318 0.74 HTR3A (0.52) HTR2BCLK4
SCHEMBL2887450 0.74 NPY5R (0.44) NPY5RHTR2B
SCHEMBL2887165 0.74 NPY5R (0.61) NPY5RTNKSTNKS2

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-20060205750-A1 Novel benzimidazole derivatives MSD K.K. (JP) 2006-09-14 US claimed
US-20040054177-A1 Novel benzimidazole derivatives MSD K.K. (JP) 2004-03-18 US claimed
US-7803807-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-09-28 US disclosed
US-7687514-B2 Benzimidazole derivatives BANYU PHARMACEUTICALS CO., LTD. (JP) 2010-03-30 US disclosed
US-20100048600-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MSD K.K. (JP) 2010-02-25 US disclosed
US-20060205750-A1 Novel benzimidazole derivatives MSD K.K. (JP) 2006-09-14 US disclosed
US-7105526-B2 Benzimidazole derivatives BANYU PHARMACEUTICALS CO., LTD. (JP) 2006-09-12 US disclosed
US-20040054177-A1 Novel benzimidazole derivatives MSD K.K. (JP) 2004-03-18 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 (3 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-20040054177-A1 Novel benzimidazole derivatives OPRM1, OPRK1, HTR7 NPY5R 34/4885TNKS 2871/4885TNKS2 3059/4885
US-20060205750-A1 Novel benzimidazole derivatives NPY4R, NPY5R, NPY1R NPY5R 2/4885TNKS 4115/4885TNKS2 3990/4885
US-20100048600-A1 NOVEL BENZIMIDAZOLE DERIVATIVES NPY4R, NPY5R, NPY1R NPY5R 2/4885TNKS 4115/4885TNKS2 3990/4885

“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.