SCHEMBL2370528

SCHEMBL2370528

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35
KDR P35968 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.34
SAE1 Q9UBE0 1/20 0.34

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
SCHEMBL1016475 0.85 SMN1; SMN2 (0.45) TRPV1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL443381 0.85 TRPV1 (0.44) TRPV1KMT2ANPC1MEN1MMP2
SCHEMBL3348070 0.84 KIF11 (0.45) TRPV1ALDH1A1KMT2ANPC1MEN1
SCHEMBL2369624 0.84 EPHX1 (0.50) ALDH1A1SMN1; SMN2RAB9ANPC1EPHX2
SCHEMBL2369397 0.83 KMT2A (0.51) TRPV1ALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL1832517 0.82 EPHX1 (0.57) ALDH1A1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL1991350 0.82 CYP17A1 (0.43) TRPV1
SCHEMBL3519257 0.82 TRPV1 (0.32) TRPV1ALDH1A1TSHRRECQLTP53
SCHEMBL6610808 0.79 CYP17A1 (0.49)
SCHEMBL9893711 0.77 ALDH1A1 (0.35) TRPV1ALDH1A1

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-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
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
WO-2011107585-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2011-09-09 WO disclosed
US-20090149458-A1 PYRROLO[3,2-d]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND mTOR KINASE INHIBITORS WYETH (US) 2009-06-11 US disclosed
WO-2009070524-A1 PYRROLO[3,2-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND MTOR KINASE INHIBITORS WYETH (US) 2009-06-04 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-20090149458-A1 PYRROLO[3,2-d]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND mTOR KINASE INHIBITORS MTOR, PIK3CA, PIK3CD TRPV1 2593/4885ALDH1A1 3923/4885POLB 446/4885
US-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS MTOR, EIF4E, EIF4A1 TRPV1 4512/4885ALDH1A1 4298/4885POLB 2431/4885

“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.