SCHEMBL442236

SCHEMBL442236

Cc1cc(NC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)no1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.65
ALDH1A1 P00352 4/20 0.65
NPC1 O15118 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
MAPT P10636 3/20 0.56
HSD17B10 Q99714 1/20 0.56
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
PDGFRB P09619 1/20 0.47
KDR P35968 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
ATM Q13315 1/20 0.46

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
SCHEMBL1258009 0.84 MAPK14 (0.65) RAB9ANPC1MEN1KMT2AKDR
SCHEMBL3592057 0.81 RAB9A (0.63) RAB9ANPC1MEN1KMT2APDGFRB
SCHEMBL23170027 0.81 MAPK14 (0.54) RAB9ANPC1MEN1KMT2AKDR
SCHEMBL443510 0.79 MDM2 (0.56) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL423204 0.78 PDGFRB (0.61) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2730940 0.78 CA1 (0.53) RAB9AALDH1A1NPC1SMN1; SMN2L3MBTL1
SCHEMBL24233062 0.78 NPC1 (0.59) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL29373917 0.78 NPC1 (0.59) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL422455 0.77 LPL (0.61) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL423956 0.77 PDGFRB (0.58) RAB9AALDH1A1NPC1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406258-B1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LTD (GB) 2014-12-03 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-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-8785457-B2 Pyrimidine derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2014-07-22 US disclosed
EP-2569301-A1 INDAZOLE INHIBITORS OF KINASE Abbvie Inc. (US) 2013-03-20 EP disclosed
US-8293738-B2 Indazole inhibitors of kinase ABBOTT LABORATORIES (US) 2012-10-23 US disclosed
US-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2012-03-15 US 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-2011143430-A1 INDAZOLE INHIBITORS OF KINASE ABBOTT LABORATORIES (US) 2011-11-17 WO disclosed
US-20110281868-A1 INDAZOLE INHIBITORS OF KINASE ABBOTT LABORATORIES (US) 2011-11-17 US disclosed
WO-2010103094-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2010-09-16 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 (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-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR RAB9A 1647/4885ALDH1A1 3397/4885NPC1 874/4885
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS MTOR, RICTOR, RPTOR RAB9A 1647/4885ALDH1A1 3397/4885NPC1 874/4885
US-20110281868-A1 INDAZOLE INHIBITORS OF KINASE AURKA, AURKC, AURKB RAB9A 3200/4885ALDH1A1 675/4885NPC1 1614/4885

“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.