SCHEMBL2884993

SCHEMBL2884993

O=C1Cc2ccccc2C2(CCN(c3nc4cnc(-c5ccccc5F)nc4[nH]3)CC2)N1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 15/20 0.43
TNKS O95271 2/20 0.40
TNKS2 Q9H2K2 2/20 0.40
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL2884465 0.88 NPY5R (0.51) NPY5RTNKSTNKS2HRH3
SCHEMBL2884996 0.86 NPY5R (0.43) NPY5RTNKSTNKS2PARP1PARP2
SCHEMBL2885938 0.82 NPY5R (0.39) NPY5RPARP1PARP2MAPKAPK2
SCHEMBL2889544 0.74 NPY5R (0.42) NPY5RTNKSTNKS2HRH3
SCHEMBL2884466 0.73 NPY5R (0.49) NPY5RTNKSTNKS2HRH3
SCHEMBL2885943 0.72 NPY5R (0.42) NPY5RPARP1PARP2MAPKAPK2
SCHEMBL2887165 0.72 NPY5R (0.61) NPY5RTNKSTNKS2
SCHEMBL2885859 0.71 NPY5R (0.53) NPY5RTNKSTNKS2
SCHEMBL2886740 0.71 NPY5R (0.63) NPY5R
SCHEMBL2887445 0.70 NPY5R (0.44) NPY5RPARP1PARP2

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 6 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

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.