SCHEMBL18782889

SCHEMBL18782889

Nc1ccc2[nH]c(I)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.49
RPS6KA3 P51812 1/20 0.49
CSNK2A1 P68400 1/20 0.49
PLK3 Q9H4B4 1/20 0.49
MEN1 O00255 9/20 0.43
KMT2A Q03164 9/20 0.43
HTT P42858 3/20 0.43
F2 P00734 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
MAOA P21397 1/20 0.43
DRD1 P21728 1/20 0.43
ACHE P22303 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
OPRM1 P35372 1/20 0.43

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
SCHEMBL28307753 0.79 MEN1 (0.58) MAPKAPK2RPS6KA3CSNK2A1PLK3MEN1
SCHEMBL118057 0.79 MEN1 (0.57) MAPKAPK2RPS6KA3CSNK2A1PLK3MEN1
SCHEMBL29449363 0.79 MEN1 (0.57) MAPKAPK2RPS6KA3CSNK2A1PLK3MEN1
Hydrochloric Acid SCHEMBL6621838 0.78 MEN1 (0.55) MAPKAPK2RPS6KA3CSNK2A1PLK3MEN1
SCHEMBL19364711 0.77 RAD52 (0.43) F2LMNAHTR1AADRA2ADRD1
SCHEMBL1663309 0.76 MAPKAPK2 (0.49) MAPKAPK2RPS6KA3CSNK2A1PLK3MEN1
SCHEMBL1925825 0.76 KDM4E (0.57) MAPKAPK2RPS6KA3CSNK2A1PLK3MEN1
SCHEMBL1143305 0.76 MAPKAPK2 (0.49) MAPKAPK2RPS6KA3CSNK2A1PLK3MEN1
SCHEMBL3035648 0.76 MAPKAPK2 (0.49) MAPKAPK2RPS6KA3CSNK2A1PLK3MEN1
SCHEMBL25606670 0.76 MAPKAPK2 (0.49) MAPKAPK2RPS6KA3CSNK2A1PLK3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 MAPKAPK2 4053/4885RPS6KA3 2662/4885CSNK2A1 791/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L MAPKAPK2 4367/4885RPS6KA3 3264/4885CSNK2A1 1208/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L MAPKAPK2 4367/4885RPS6KA3 3264/4885CSNK2A1 1208/4885

“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.