SCHEMBL2889544

SCHEMBL2889544

O=C1Cc2ccccc2C2(CCN(c3nc4nc(-c5ccc(F)cc5)ncc4[nH]3)CC2)N1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 13/20 0.42
TNKS O95271 2/20 0.37
TNKS2 Q9H2K2 2/20 0.37
HRH3 Q9Y5N1 1/20 0.35
PTPN11 Q06124 1/20 0.35
ADRA1A P35348 1/20 0.34
RORC P51449 1/20 0.34
SCN9A Q15858 1/20 0.33
KIT P10721 1/20 0.33

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
SCHEMBL2884466 0.93 NPY5R (0.49) NPY5RTNKSTNKS2HRH3PTPN11
SCHEMBL2884996 0.88 NPY5R (0.43) NPY5RTNKSTNKS2
SCHEMBL2889543 0.86 NPY5R (0.44) NPY5RTNKSTNKS2HRH3ADRA1A
SCHEMBL2887450 0.82 NPY5R (0.44) NPY5RRORC
SCHEMBL2884465 0.78 NPY5R (0.51) NPY5RTNKSTNKS2HRH3
SCHEMBL2885859 0.74 NPY5R (0.53) NPY5RTNKSTNKS2ADRA1A
SCHEMBL2886740 0.74 NPY5R (0.63) NPY5R
SCHEMBL2890569 0.74 NPY5R (0.42) NPY5R
SCHEMBL2884993 0.74 NPY5R (0.43) NPY5RTNKSTNKS2HRH3
SCHEMBL2887445 0.71 NPY5R (0.44) NPY5RRORC

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
US-20060205750-A1 Novel benzimidazole derivatives MSD K.K. (JP) 2006-09-14 US claimed
EP-1517908-A2 NOVEL BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-03-30 EP claimed
US-20040054177-A1 Novel benzimidazole derivatives MSD K.K. (JP) 2004-03-18 US claimed
WO-2004002986-A2 NOVEL BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO 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.