SCHEMBL896384

SCHEMBL896384

CCOC(=O)C(C(=O)OCC)c1ncccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MMP8 P22894 1/20 0.45
NPC1 O15118 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.42
PIN1 Q13526 1/20 0.41
BRD4 O60885 1/20 0.41
NLRP3 Q96P20 1/20 0.40
CYP1A2 P05177 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CASP1 P29466 1/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL2647026 0.83 ALDH1A1 (0.50) MEN1KMT2AGAASMN1; SMN2NPC1
SCHEMBL27669113 0.82 MEN1 (0.46) MEN1KMT2AGAASMN1; SMN2NPC1
SCHEMBL8429965 0.82 KMT2A (0.46) MEN1KMT2AGAASMN1; SMN2NPC1
SCHEMBL2662259 0.81 ALDH1A1 (0.45) MEN1KMT2AGAASMN1; SMN2MMP8
SCHEMBL4924785 0.80 ALDH1A1 (0.49) MEN1KMT2AGAASMN1; SMN2MMP8
SCHEMBL26970708 0.79 MMP8 (0.41) MEN1KMT2AGAASMN1; SMN2MMP8
SCHEMBL31505783 0.79 ALDH1A1 (0.43) MEN1KMT2AGAAMMP8NPC1
SCHEMBL30720879 0.79 MEN1 (0.39) MEN1KMT2AGAASMN1; SMN2MMP8
SCHEMBL1162993 0.78 SMN1; SMN2 (0.66) MEN1KMT2AGAASMN1; SMN2MMP8
SCHEMBL20828398 0.77 LMNA (0.44) MEN1KMT2AGAASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3456719-A1 COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2019-03-20 EP disclosed
EP-3456719-A1 COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2019-03-20 EP disclosed
US-10087172-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-10-02 US disclosed
EP-2922850-B1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-07-18 EP disclosed
EP-2922850-B1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-07-18 EP disclosed
US-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2015-10-15 US disclosed
US-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2015-10-15 US disclosed
US-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2015-10-15 US disclosed
EP-2922850-A1 COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2015-09-30 EP disclosed
US-8809373-B2 Pyridine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2014-08-19 US disclosed
US-20090286818-A1 Pyridine Non-Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US disclosed
US-20090286810-A1 Pyrimidine Non-Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US disclosed
US-20090286810-A1 Pyrimidine Non-Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US disclosed
US-20090286818-A1 Pyridine Non-Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US disclosed
US-20090275589-A1 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-05 US disclosed
CN-101326176-A Pyridazine compound and use thereof SUMITOMO CHEMICAL CO (JP) 2008-12-17 CN disclosed
EP-1958946-A1 PYRIDAZINE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 EP disclosed
US-5973156-A Piperidine and tetrahydropyridine derivatives MERCK SHARP & DOME LTD. (GB) 1999-10-26 US disclosed
EP-0861245-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-02 EP disclosed
WO-1997019073-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 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 (5 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-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL MEN1 1091/4885KMT2A 1385/4885GAA 20/4885
US-10087172-B2 Compounds and their methods of use GLS, GLS2, GLUL MEN1 1091/4885KMT2A 1385/4885GAA 20/4885
US-20090286810-A1 Pyrimidine Non-Classical Cannabinoid Compounds and Related Methods of Use CNR1, CNR2, GPR18 MEN1 4699/4885KMT2A 2007/4885GAA 3580/4885
US-20090286818-A1 Pyridine Non-Classical Cannabinoid Compounds and Related Methods of Use CNR1, CNR2, NPY1R MEN1 4416/4885KMT2A 1226/4885GAA 4405/4885
US-20090275589-A1 Pyridazine Compound and Use Thereof PLPBP, PNPO, PDXK MEN1 3015/4885KMT2A 1894/4885GAA 1580/4885

“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.