SCHEMBL244096

SCHEMBL244096

CCOC(=O)c1cnc(N2CCOCC2)nc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
ALOX15 P16050 1/20 0.58
PKM P14618 1/20 0.55
DYRK1A Q13627 1/20 0.51
GAA P10253 6/20 0.49
MAPT P10636 6/20 0.49
TP53 P04637 2/20 0.49
MAPK1 P28482 2/20 0.49
USP2 O75604 1/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
PIK3CA P42336 1/20 0.48
POLB P06746 2/20 0.48
CNR2 P34972 1/20 0.48
SMN1; SMN2 Q16637 2/20 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
SCHEMBL242697 0.86 KDM4E (0.61) KDM4EALOX15PKMDYRK1AGAA
SCHEMBL11825406 0.85 KDM4E (0.47) KDM4EALOX15PKMMAPTMAPK1
SCHEMBL244184 0.85 KDM4E (0.66) KDM4EALOX15PKMGAAMAPT
SCHEMBL13696639 0.84 KDM4E (0.59) KDM4EALOX15PKMDYRK1AGAA
SCHEMBL14590419 0.83 MAPT (0.59) KDM4EALOX15PKMGAAMAPT
SCHEMBL1012134 0.83 KDM4E (0.58) KDM4EALOX15PKMDYRK1AGAA
SCHEMBL12929380 0.83 KDM4E (0.61) KDM4EALOX15PKMDYRK1AGAA
SCHEMBL1014816 0.82 KDM4E (0.57) KDM4EALOX15PKMDYRK1AGAA
SCHEMBL8267775 0.82 PKM (0.52) KDM4EALOX15PKMDYRK1AGAA
SCHEMBL25257072 0.81 POLB (0.51) KDM4EALOX15PKMGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588473-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US disclosed
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US disclosed
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US disclosed
WO-2012003264-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS AMGEN INC. (US) 2012-01-05 WO disclosed
WO-2012003264-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS AMGEN INC. (US) 2012-01-05 WO disclosed
EP-2271629-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 AstraZeneca AB (SE) 2011-01-12 EP disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed
US-20090227587-A1 Pyrimidines as inhibitors of phosphoinositide-3-kinases (PI3K) WARNER-LAMBERT COMPANY LLC 2009-09-10 US disclosed
US-20090227587-A1 Pyrimidines as inhibitors of phosphoinositide-3-kinases (PI3K) WARNER-LAMBERT COMPANY LLC 2009-09-10 US disclosed
US-20090227587-A1 Pyrimidines as inhibitors of phosphoinositide-3-kinases (PI3K) WARNER-LAMBERT COMPANY LLC 2009-09-10 US disclosed
EP-1682532-B1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE-3-KINASES (PI3K) WARNER LAMBERT CO (US) 2007-06-27 EP disclosed
EP-1682532-B1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE-3-KINASES (PI3K) WARNER LAMBERT CO (US) 2007-06-27 EP disclosed
EP-1682532-A1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE-3-KINASES (PI3K) Warner-Lambert Company LLC (US) 2006-07-26 EP disclosed
WO-2005042519-A1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE -3-KINASES (PI3K) WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 WO disclosed
US-3975384-A ANTITHROMBOTICS BOEHRINGER INGELHEIM GMBH (DT) 1976-08-17 US 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-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 CYP2S1, HSD11B1, HSD3B1 KDM4E 1727/4885ALOX15 242/4885PKM 2041/4885
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 KDM4E 1400/4885ALOX15 157/4885PKM 3030/4885
US-20090227587-A1 Pyrimidines as inhibitors of phosphoinositide-3-kinases (PI3K) PIK3CA, PIK3CD, PIK3R5 KDM4E 2264/4885ALOX15 1762/4885PKM 1180/4885

“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.