SCHEMBL829387

SCHEMBL829387

CC(C)(C)OC(=O)N(c1cc(/C(=N/O)C(=O)c2ccc(F)cc2)ccn1)C1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
PROKR1 Q8TCW9 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
PIP5K1C O60331 1/20 0.32
PIK3CA P42336 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
MAPK14 Q16539 1/20 0.32
SLC6A9 P48067 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ELOVL1 Q9BW60 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
SCHEMBL828572 1.00 ALDH1A1 (0.35) ALDH1A1PROKR1MEN1KMT2APRMT5
SCHEMBL828825 0.81 PROKR1 (0.35) ALDH1A1PROKR1KMT2A
SCHEMBL828699 0.81 PROKR1 (0.35) ALDH1A1PROKR1KMT2A
SCHEMBL828101 0.80 ALDH1A1 (0.36) ALDH1A1PROKR1MEN1KMT2APRMT5
SCHEMBL830760 0.79 HDAC1 (0.33) ALDH1A1PROKR1
SCHEMBL829522 0.79 ALDH1A1 (0.35) ALDH1A1PROKR1
SCHEMBL828223 0.79 ALDH1A1 (0.35) ALDH1A1PROKR1
SCHEMBL828221 0.79 HDAC1 (0.33) ALDH1A1PROKR1
SCHEMBL828105 0.77 ALDH1A1 (0.34) ALDH1A1PROKR1
SCHEMBL829243 0.77 ALDH1A1 (0.34) ALDH1A1PROKR1

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 11 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-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 US disclosed
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-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-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 4439/4885PROKR1 2152/4885MEN1 4101/4885
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 ALDH1A1 4439/4885PROKR1 2152/4885MEN1 4101/4885
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B ALDH1A1 1127/4885PROKR1 443/4885MEN1 3005/4885

“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.