SCHEMBL443381

SCHEMBL443381

CCNC(=O)Nc1ccc(B(O)OC(C)(C)C(C)(C)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.44
MTNR1B P49286 1/20 0.41
GHSR Q92847 1/20 0.40
DHODH Q02127 1/20 0.39
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDR P35968 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
NPC1 O15118 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
GAA P10253 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL2369397 0.90 KMT2A (0.51) TRPV1GHSRMMP2MEN1KMT2A
SCHEMBL2370528 0.85 TRPV1 (0.46) TRPV1MMP2MEN1KMT2AKDR
SCHEMBL1016475 0.82 SMN1; SMN2 (0.45) TRPV1MEN1KMT2ACA12CA1
SCHEMBL3348070 0.81 KIF11 (0.45) TRPV1MEN1KMT2ANPC1GAA
SCHEMBL2369624 0.81 EPHX1 (0.50) NPC1EPHX1
SCHEMBL1832517 0.79 EPHX1 (0.57) MEN1KMT2ANPC1GAAEPHX1
SCHEMBL1991350 0.78 CYP17A1 (0.43) TRPV1CA12CA1CA9MAPKAPK2
SCHEMBL442780 0.77 TRPV1 (0.58) TRPV1MTNR1BGHSRDHODHMEN1
SCHEMBL6610808 0.75 CYP17A1 (0.49) CA12CA1CA9
SCHEMBL3519257 0.75 TRPV1 (0.32) TRPV1

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
US-9249129-B2 Morpholino substituted urea derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2016-02-02 US disclosed
EP-2542536-B1 Morpholino substituted urea derivatives as mtor inhibitors CELLZOME LTD (GB) 2015-01-21 EP disclosed
EP-2406258-B1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LTD (GB) 2014-12-03 EP disclosed
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED 2014-10-02 US disclosed
US-8785457-B2 Pyrimidine derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2014-07-22 US disclosed
US-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2013-08-01 US disclosed
EP-2542536-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS Cellzome Limited (GB) 2013-01-09 EP disclosed
EP-2445346-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2012-05-02 EP disclosed
US-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2012-03-15 US disclosed
EP-2406258-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS Cellzome Limited (GB) 2012-01-18 EP disclosed
WO-2011107585-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2011-09-09 WO disclosed
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 US disclosed
WO-2010151601-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-29 WO disclosed
WO-2010103094-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2010-09-16 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 (4 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-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, PIK3CA, RICTOR TRPV1 3171/4885MTNR1B 4252/4885GHSR 3617/4885
US-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR TRPV1 3901/4885MTNR1B 1774/4885GHSR 4006/4885
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS MTOR, RICTOR, RPTOR TRPV1 3901/4885MTNR1B 1774/4885GHSR 4006/4885
US-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS MTOR, EIF4E, EIF4A1 TRPV1 4512/4885MTNR1B 1359/4885GHSR 4072/4885

“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.