SCHEMBL828282

SCHEMBL828282

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.34
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SSTR4 P31391 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
PROKR1 Q8TCW9 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
SCHEMBL829402 1.00 AAK1 (0.34) AAK1HDAC1HDAC8HDAC6SSTR4
SCHEMBL828221 0.89 HDAC1 (0.33) AAK1HDAC1HDAC8HDAC6SSTR4
SCHEMBL830760 0.89 HDAC1 (0.33) AAK1HDAC1HDAC8HDAC6SSTR4
SCHEMBL828223 0.85 ALDH1A1 (0.35) AAK1SSTR4ALDH1A1PROKR1
SCHEMBL829522 0.85 ALDH1A1 (0.35) AAK1SSTR4ALDH1A1PROKR1
SCHEMBL863156 0.85 POLB (0.39) HDAC1HDAC8HDAC6
SCHEMBL828691 0.85 POLB (0.39) HDAC1HDAC8HDAC6
SCHEMBL828825 0.84 PROKR1 (0.35) AAK1SSTR4ALDH1A1PROKR1
SCHEMBL828699 0.84 PROKR1 (0.35) AAK1SSTR4ALDH1A1PROKR1
SCHEMBL828285 0.84 SSTR4 (0.33) AAK1SSTR4ALDH1A1

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 AAK1 201/4885HDAC1 1001/4885HDAC8 643/4885
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 AAK1 201/4885HDAC1 1001/4885HDAC8 643/4885
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B AAK1 3321/4885HDAC1 308/4885HDAC8 965/4885

“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.