SCHEMBL828101

SCHEMBL828101

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ELOVL1 Q9BW60 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
SLC6A9 P48067 1/20 0.33
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
MAPK14 Q16539 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31
SLC2A1 P11166 1/20 0.31
PIP5K1C O60331 1/20 0.31

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
SCHEMBL828280 0.80 RAB9A (0.39) ALDH1A1RAB9AHTR2AHTR2CSLC6A4
SCHEMBL829387 0.80 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AELOVL1KDM4E
SCHEMBL828572 0.80 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AELOVL1KDM4E
SCHEMBL828683 0.79 RAB9A (0.38) ALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL828664 0.78 OPRD1 (0.40) ALDH1A1MEN1KMT2ARAB9APRMT5
SCHEMBL828347 0.78 RAB9A (0.37) ALDH1A1RAB9AMAPK14
SCHEMBL828680 0.76 RAB9A (0.36) ALDH1A1RAB9AMAPK14
SCHEMBL828345 0.76 RAB9A (0.36) ALDH1A1RAB9AMAPK14
SCHEMBL828571 0.76 RAB9A (0.35) ALDH1A1RAB9ASLC6A9MAPK14
SCHEMBL828344 0.76 POLB (0.42) MEN1KMT2ARAB9AMAPK14L3MBTL1

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 13 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-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
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 4439/4885MEN1 4101/4885KMT2A 1086/4885
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 ALDH1A1 4439/4885MEN1 4101/4885KMT2A 1086/4885
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B ALDH1A1 1127/4885MEN1 3005/4885KMT2A 3199/4885

“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.