SCHEMBL1424853

SCHEMBL1424853

CCOC(=O)c1cc(C)nc(NC(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
RAB9A P51151 2/20 0.48
THRB P10828 1/20 0.48
PDPK1 O15530 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TP53 P04637 2/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SLC2A1 P11166 1/20 0.45
GBA1 P04062 1/20 0.43
MAPT P10636 2/20 0.41

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
SCHEMBL18360194 0.86 KDM4E (0.46) MEN1KMT2ALMNACA12CA1
SCHEMBL16114233 0.86 GPR35 (0.44) MEN1KMT2ARAB9ATHRBPDPK1
SCHEMBL12852739 0.83 MEN1 (0.51) MEN1KMT2ARAB9ATHRBPDPK1
SCHEMBL3937264 0.81 LMNA (0.53) MEN1KMT2ARAB9ATHRBPDPK1
SCHEMBL18773577 0.81 CA12 (0.62) MEN1KMT2ARAB9ATHRBPDPK1
SCHEMBL1424851 0.80 HCAR3 (0.50) MEN1KMT2ARAB9ALMNATP53
SCHEMBL18360121 0.79 KDM4E (0.40) MEN1KMT2ARAB9ALMNAHTT
Hydrochloric Acid SCHEMBL1425016 0.78 HCAR3 (0.49) MEN1KMT2ARAB9ALMNATP53
SCHEMBL22999593 0.78 HPGD (0.55) MEN1KMT2ARAB9ATHRBPDPK1
SCHEMBL2526048 0.77 MEN1 (0.46) MEN1KMT2ARAB9ATHRBPDPK1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017004608-A1 OXADIAZOLE MODULATORS OF S1P METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2017-01-05 WO disclosed
WO-2017004609-A1 THIADIAZOLE MODULATORS OF S1P AND METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2017-01-05 WO disclosed
WO-2017004609-A1 THIADIAZOLE MODULATORS OF S1P AND METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2017-01-05 WO disclosed
WO-2017004608-A1 OXADIAZOLE MODULATORS OF S1P METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2017-01-05 WO disclosed
US-8598208-B2 Pyridine derivatives as S1P1/EDG1 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-03 US disclosed
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2195311-B1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-23 EP disclosed
WO-2010117662-A1 MODULATORS OF S1P AND METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2010-10-14 WO disclosed
WO-2010117662-A1 MODULATORS OF S1P AND METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2010-10-14 WO disclosed
US-20100249071-A1 Modulators of S1P and Methods of Making And Using EXELIXIS, INC. (US) 2010-09-30 US disclosed
US-20100249071-A1 Modulators of S1P and Methods of Making And Using EXELIXIS, INC. (US) 2010-09-30 US disclosed
US-20100249071-A1 Modulators of S1P and Methods of Making And Using EXELIXIS, INC. (US) 2010-09-30 US disclosed
EP-2195311-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2010-06-16 EP disclosed
WO-2009024905-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-26 WO 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 (2 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-20100249071-A1 Modulators of S1P and Methods of Making And Using S1PR5, S1PR1, S1PR2 MEN1 394/4885KMT2A 3087/4885RAB9A 3321/4885
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 MEN1 1303/4885KMT2A 2397/4885RAB9A 2456/4885

“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.