SCHEMBL828223

SCHEMBL828223

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
USP30 Q70CQ3 1/20 0.32
GRM1 Q13255 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
PROKR1 Q8TCW9 2/20 0.32
SSTR4 P31391 1/20 0.31
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 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
SCHEMBL829522 1.00 ALDH1A1 (0.35) ALDH1A1USP30GRM1AAK1PROKR1
SCHEMBL828105 0.92 ALDH1A1 (0.34) ALDH1A1AAK1PROKR1SSTR4
SCHEMBL829243 0.92 ALDH1A1 (0.34) ALDH1A1AAK1PROKR1SSTR4
SCHEMBL829906 0.91 SSTR4 (0.33) ALDH1A1AAK1SSTR4
SCHEMBL828285 0.91 SSTR4 (0.33) ALDH1A1AAK1SSTR4
SCHEMBL828686 0.89 ALDH1A1 (0.38) ALDH1A1AAK1PROKR1KDM5AKDM4C
SCHEMBL830914 0.89 ALDH1A1 (0.38) ALDH1A1AAK1PROKR1KDM5AKDM4C
SCHEMBL828825 0.87 PROKR1 (0.35) ALDH1A1USP30GRM1AAK1PROKR1
SCHEMBL828699 0.87 PROKR1 (0.35) ALDH1A1USP30GRM1AAK1PROKR1
SCHEMBL829402 0.85 AAK1 (0.34) ALDH1A1AAK1PROKR1SSTR4

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 ALDH1A1 4439/4885USP30 1327/4885GRM1 1855/4885
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 ALDH1A1 4439/4885USP30 1327/4885GRM1 1855/4885
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B ALDH1A1 1127/4885USP30 3042/4885GRM1 3426/4885

“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.