SCHEMBL1018491

SCHEMBL1018491

CNC(=O)COc1cccc(N)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
TP53 P04637 2/20 0.54
CYP3A4 P08684 2/20 0.54
HTT P42858 1/20 0.54
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.48
TSHR P16473 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
SYK P43405 2/20 0.46
MAOB P27338 1/20 0.46
PDK2 Q15119 1/20 0.46
RECQL P46063 2/20 0.46
MAPK10 P53779 1/20 0.46
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL14885455 0.84 RAB9A (0.62) KMT2ATP53CYP3A4HTTKDM4E
SCHEMBL4767293 0.83 HSD17B10 (0.54) KMT2ATP53CYP3A4KDM4EALDH1A1
SCHEMBL7606595 0.82 KMT2A (0.70) KMT2AHTTALDH1A1RAB9ALMNA
SCHEMBL217079 0.82 CYP3A4 (0.56) KMT2ATP53CYP3A4KDM4EALDH1A1
SCHEMBL10753958 0.81 CYP3A4 (0.59) KMT2ATP53CYP3A4KDM4EALDH1A1
SCHEMBL24863820 0.81 KMT2A (0.54) KMT2AHTTKDM4EALDH1A1HSD17B10
SCHEMBL16180109 0.81 HSD17B10 (0.70) KMT2AHTTKDM4EALDH1A1HSD17B10
SCHEMBL8428158 0.81 GAA (0.58) KMT2ATP53HTTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5177536 0.80 KMT2A (0.61) KMT2ATP53HTTKDM4EALDH1A1
SCHEMBL778673 0.80 MEN1 (0.52) KMT2ATP53KDM4EALDH1A1TSHR

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271631-B1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARM INC (US) 2018-07-04 EP disclosed
EP-2834237-B1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS LUPIN LTD (IN) 2018-06-06 EP disclosed
US-9969731-B2 Heterocyclyl compounds as MEK inhibitors LUPIN LIMITED (IN) 2018-05-15 US disclosed
US-20180064646-A1 METHOD AND DEVICE FOR ADMINISTERING XINAFOATE SALT OF N4-(2,2-DIFLUORO-4H-BENZO[1,4]OXAZIN-3-ONE)-6-YL]-5-FLUORO-N2-[3-(METHYLAMINOCARBONYLMETHYLENEOXY)PHENYL]2,4-PYRIMIDINEDIAMINE RIGEL PHARMACEUTICALS, INC. (US) 2018-03-08 US disclosed
US-20170101408-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS LUPIN LIMITED (IN) 2017-04-13 US disclosed
US-9555035-B2 Heterocyclyl compounds as MEK inhibitors LUPIN LIMITED (IN) 2017-01-31 US disclosed
US-20160331753-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS LUPIN LIMITED (IN) 2016-11-17 US disclosed
US-9428499-B2 Heterocyclyl compounds as MEK inhibitors LUPIN LIMITED (IN) 2016-08-30 US disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-20150133424-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS LUPIN LIMITED (IN) 2015-05-14 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed
WO-2009031011-A2 XINAFOATE SALT OF N4-(2, 2-DIFLUORO-4H-BENZ0 [1,4] 0XAZIN-3-ONE) -6-YL] -5-FLUORO-N2- [3- (METHYLAMINOCAR BONYLMETHYLENEOXY) PHENYL] 2, 4-PYRIMIDINEDIAMINE PFIZER LIMITED (GB) 2009-03-12 WO disclosed
WO-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 WO disclosed
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
WO-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed
EP-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 EP disclosed
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 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 (6 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-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A KMT2A 2984/4885TP53 1171/4885CYP3A4 1599/4885
US-20160331753-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS NRAS, BRAF, KRAS KMT2A 1291/4885TP53 399/4885CYP3A4 570/4885
US-20150133424-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS NRAS, BRAF, KRAS KMT2A 1291/4885TP53 399/4885CYP3A4 570/4885
US-20180064646-A1 METHOD AND DEVICE FOR ADMINISTERING XINAFOATE SALT OF N4-(2,2-DIFLUORO-4H-BENZO[1,4]OXAZIN-3-ONE)-6-YL]-5-FLUORO-N2-[3-(METHYLAMINOCARBONYLMETHYLENEOXY)PHENYL]2,4-PYRIMIDINEDIAMINE YTHDF1, YTHDF2, YTHDF3 KMT2A 1105/4885TP53 4570/4885CYP3A4 320/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 KMT2A 1671/4885TP53 1024/4885CYP3A4 829/4885
US-20170101408-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS NRAS, BRAF, KRAS KMT2A 1291/4885TP53 399/4885CYP3A4 570/4885

“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.