SCHEMBL476840

SCHEMBL476840

CC(C)(O)C(C)(C)OB(O)c1n[nH]c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
STAT3 P40763 1/20 0.39
HIF1A Q16665 1/20 0.39
GAA P10253 2/20 0.38
PDPK1 O15530 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP1A2 P05177 1/20 0.36
YTHDC1 Q96MU7 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALPL P05186 1/20 0.36
IDO1 P14902 1/20 0.36
HPGD P15428 1/20 0.36
TTK P33981 1/20 0.36
MAPK10 P53779 1/20 0.36
MAP2K4 P45985 2/20 0.35
FLT3 P36888 4/20 0.34
CTNNB1 P35222 3/20 0.34
WNT3A P56704 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 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
SCHEMBL29954805 0.72 KDM4E (0.52) KDM4ESTAT3HIF1AGAAPDPK1
SCHEMBL63074 0.72 KDM4E (0.52) KDM4ESTAT3HIF1AGAAPDPK1
SCHEMBL8784 0.72 IDO1 (0.41) CYP3A4CYP1A2IDO1HPGDMAPT
SCHEMBL4434307 0.71 CYP3A4 (0.44) CYP3A4NPC1LMNARAB9A
SCHEMBL11969988 0.69 KIF11 (0.47) KDM4EGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL14635056 0.69 KIF11 (0.47) KDM4ECYP3A4CYP1A2ALDH1A1HPGD
SCHEMBL535000 0.69 KIF11 (0.47) KDM4EALDH1A1HPGDMAPT
SCHEMBL8533 0.69 ADORA2A (0.33)
SCHEMBL1101791 0.69 KDM4E (0.56) KDM4ESTAT3HIF1AGAAPDPK1
SCHEMBL119711 0.68 TRPV6 (0.39) HIF1AALDH1A1MAPK1

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
CN-119161359-A Novel 4-morpholinyl thieno [3,2-d ] pyrimidine compound containing acrylamide structure and application thereof 辽宁大学 2024-12-20 CN disclosed
US-9997728-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-12 US disclosed
EP-2706064-B1 Organometallic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO LTD (KR) 2016-11-09 EP disclosed
US-20160293868-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2016-10-06 US disclosed
US-9373798-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-21 US disclosed
US-8987280-B2 Pyrazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-24 US disclosed
EP-2252616-B1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-07-23 EP disclosed
US-20140070180-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-03-13 US disclosed
EP-2706064-A1 Organometallic compound and organic light-emitting device including the same Samsung Display Co., Ltd. (KR) 2014-03-12 EP disclosed
EP-2411398-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-01 EP disclosed
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-07-14 US disclosed
CN-101981037-A Pyrazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH INC 2011-02-23 CN disclosed
EP-2252616-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2010-11-24 EP disclosed
WO-2010110782-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 WO disclosed
WO-2009097446-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-08-06 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-20160293868-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, PPOX, CRY1 KDM4E 1317/4885STAT3 3597/4885HIF1A 3489/4885
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PI4KA KDM4E 3604/4885STAT3 1199/4885HIF1A 3224/4885

“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.