SCHEMBL828699

SCHEMBL828699

CN(C(=O)OC(C)(C)C)c1cc(C(=NO)C(=O)c2ccc(F)cc2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 3/20 0.35
SSTR4 P31391 1/20 0.32
USP30 Q70CQ3 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CYP17A1 P05093 1/20 0.31
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
GRM1 Q13255 1/20 0.30
GRM2 Q14416 1/20 0.30
LTA4H P09960 1/20 0.30

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
SCHEMBL828825 1.00 PROKR1 (0.35) PROKR1SSTR4USP30AAK1CES2
SCHEMBL830760 0.87 HDAC1 (0.33) PROKR1SSTR4AAK1ALDH1A1GRM1
SCHEMBL828221 0.87 HDAC1 (0.33) PROKR1SSTR4AAK1ALDH1A1GRM1
SCHEMBL828223 0.87 ALDH1A1 (0.35) PROKR1SSTR4USP30AAK1ALDH1A1
SCHEMBL829522 0.87 ALDH1A1 (0.35) PROKR1SSTR4USP30AAK1ALDH1A1
SCHEMBL828105 0.85 ALDH1A1 (0.34) PROKR1SSTR4AAK1ALDH1A1
SCHEMBL829243 0.85 ALDH1A1 (0.34) PROKR1SSTR4AAK1ALDH1A1
SCHEMBL828282 0.84 AAK1 (0.34) PROKR1SSTR4AAK1ALDH1A1
SCHEMBL829402 0.84 AAK1 (0.34) PROKR1SSTR4AAK1ALDH1A1
SCHEMBL829906 0.83 SSTR4 (0.33) SSTR4AAK1ALDH1A1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 US disclosed
US-9617221-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2017-04-11 US disclosed
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-02-21 US disclosed
US-8143294-B2 2-sulfanyl-substituted imidazole derivatives and their use as cytokine inhibitors BURNET MICHAEL (DE) 2012-03-27 US disclosed
US-8143294-B2 2-sulfanyl-substituted imidazole derivatives and their use as cytokine inhibitors BURNET MICHAEL (DE) 2012-03-27 US disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 US disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 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-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 PROKR1 2152/4885SSTR4 4344/4885USP30 1327/4885
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 PROKR1 2152/4885SSTR4 4344/4885USP30 1327/4885
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B PROKR1 443/4885SSTR4 1878/4885USP30 3042/4885

“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.