SCHEMBL989419

SCHEMBL989419

CN(C)S(=O)(=O)n1c(N)nc2ccc(I)cc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.49
SMN1; SMN2 Q16637 1/20 0.44
NOD1 Q9Y239 7/20 0.38
CXCL8 P10145 4/20 0.38
GAA P10253 2/20 0.38
NOD2 Q9HC29 2/20 0.38
PI4KB Q9UBF8 1/20 0.38
CYP3A4 P08684 5/20 0.38
KDM4E B2RXH2 1/20 0.35
ALDH3A1 P30838 1/20 0.35

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
SCHEMBL5991067 0.94 SMN1; SMN2 (0.56) MAPK14SMN1; SMN2NOD1CXCL8GAA
SCHEMBL4830340 0.86 MAPK14 (0.39) MAPK14NOD1CXCL8GAANOD2
SCHEMBL11149114 0.83 MAPK14 (0.47) MAPK14SMN1; SMN2NOD1CXCL8GAA
SCHEMBL991522 0.80 PI4KB (0.57) MAPK14PI4KBCYP3A4
SCHEMBL11157062 0.80 MAPK14 (0.45) MAPK14SMN1; SMN2NOD1CXCL8GAA
SCHEMBL11246875 0.80 PI4KB (0.46) MAPK14SMN1; SMN2NOD1CXCL8GAA
SCHEMBL11262610 0.80 PI4KB (0.48) MAPK14SMN1; SMN2NOD1CXCL8PI4KB
SCHEMBL990147 0.79 SMN1; SMN2 (0.69) MAPK14SMN1; SMN2NOD1CXCL8GAA
SCHEMBL14247717 0.77 MAPK14 (0.45) MAPK14NOD1CXCL8GAANOD2
SCHEMBL11625701 0.77 MAPK14 (0.44) MAPK14SMN1; SMN2PI4KB

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
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
US-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 US disclosed
US-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 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 (2 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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 MAPK14 10/4885SMN1; SMN2 4631/4885NOD1 1591/4885
US-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 MAPK14 341/4885SMN1; SMN2 3611/4885NOD1 4801/4885

“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.