SCHEMBL828285

SCHEMBL828285

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.33
ALDH1A1 P00352 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
GRM2 Q14416 1/20 0.31
SLC6A9 P48067 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
SCHEMBL829906 1.00 SSTR4 (0.33) SSTR4ALDH1A1AAK1GRM2SLC6A9
SCHEMBL829522 0.91 ALDH1A1 (0.35) SSTR4ALDH1A1AAK1
SCHEMBL828223 0.91 ALDH1A1 (0.35) SSTR4ALDH1A1AAK1
SCHEMBL829243 0.89 ALDH1A1 (0.34) SSTR4ALDH1A1AAK1
SCHEMBL828105 0.89 ALDH1A1 (0.34) SSTR4ALDH1A1AAK1
SCHEMBL830914 0.85 ALDH1A1 (0.38) ALDH1A1AAK1
SCHEMBL828686 0.85 ALDH1A1 (0.38) ALDH1A1AAK1
SCHEMBL828221 0.85 HDAC1 (0.33) SSTR4ALDH1A1AAK1GRM2
SCHEMBL830760 0.85 HDAC1 (0.33) SSTR4ALDH1A1AAK1GRM2
SCHEMBL829402 0.84 AAK1 (0.34) SSTR4ALDH1A1AAK1

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 SSTR4 4344/4885ALDH1A1 4439/4885AAK1 201/4885
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 SSTR4 4344/4885ALDH1A1 4439/4885AAK1 201/4885
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B SSTR4 1878/4885ALDH1A1 1127/4885AAK1 3321/4885

“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.