SCHEMBL2126396

SCHEMBL2126396

Cc1cc(CC#N)ccc1I

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.38
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP3 P08254 1/20 0.36
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
CHEK1 O14757 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
FFAR1 O14842 1/20 0.32
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.30
PTPRC P08575 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL29291620 0.81 ENPP2 (0.41) ENPP2KDM4ETDP1MMP3L3MBTL1
SCHEMBL3244749 0.81 HTT (0.44) ENPP2KDM4ETDP1MMP3ABCB1
SCHEMBL21346932 0.76 PTGS1 (0.41) ESR1ESR2
SCHEMBL19154351 0.76 ESR1 (0.54) KDM4ETDP1L3MBTL1ESR1ESR2
SCHEMBL24108469 0.76 ENPP2 (0.38) ENPP2KDM4ETDP1MMP3FFAR1
SCHEMBL4712067 0.76 SKP2 (0.52) ENPP2KDM4ETDP1MMP3L3MBTL1
SCHEMBL7200049 0.76 ENPP2 (0.38) ENPP2KDM4ETDP1MMP3HTT
SCHEMBL30354620 0.76 PTPRC (0.41) ENPP2KDM4ETDP1MMP3ABCB1
SCHEMBL27660652 0.76 ENPP2 (0.38) ENPP2KDM4ETDP1MMP3ABCB1
SCHEMBL25786460 0.76 TSHR (0.43) ENPP2KDM4ETDP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184526-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2017-06-28 EP disclosed
EP-2343299-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 EP disclosed
EP-2474545-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-11-09 EP disclosed
EP-2426129-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-11-02 EP disclosed
EP-2455382-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-10-26 EP disclosed
EP-2343299-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORP (US) 2015-11-04 EP disclosed
US-8765939-B2 Pyrimidline derivatives having immune modulating properties that act via TLR7 for the treatment of viral or allergic diseases and cancers ASTRAZENECA AB (SE) 2014-07-01 US disclosed
US-20130045955-A1 NOVEL COMPOUNDS BENNETT NICHOLAS J (GB) 2013-02-21 US disclosed
US-20120289520-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2012-11-15 US disclosed
US-8268990-B2 Compounds ASTRAZENECA AB (SE) 2012-09-18 US disclosed
US-8188092-B2 Substituted pyrazines as DGAT-1 inhibitors ASTRAZENECA AB (SE) 2012-05-29 US disclosed
EP-2443096-A1 PYRAZINE CARBOXAMIDES AS INHIBITORS OF DGAT1 AstraZeneca AB (SE) 2012-04-25 EP disclosed
EP-2348023-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-27 EP disclosed
EP-2343299-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-13 EP disclosed
US-20100324068-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2010-12-23 US disclosed
WO-2010146395-A1 PYRAZINE CARBOXAMIDES AS INHIBITORS OF DGAT1 ASTRAZENECA AB (SE) 2010-12-23 WO disclosed
US-20090209524-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-08-20 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 (4 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-20100324068-A1 CHEMICAL COMPOUNDS 785 GPBAR1, DGAT1, GPR119 ENPP2 4346/4885KDM4E 2095/4885TDP1 3272/4885
US-20090209524-A1 Novel Compounds ABCG2, CYP4B1, CYP3A4 ENPP2 2120/4885KDM4E 2004/4885TDP1 3405/4885
US-20130045955-A1 NOVEL COMPOUNDS ABCG2, F12, CFTR ENPP2 1997/4885KDM4E 2429/4885TDP1 4150/4885
US-20120289520-A1 CHEMICAL COMPOUNDS 785 DGAT1, DGAT2, SLC5A1 ENPP2 3678/4885KDM4E 2115/4885TDP1 4057/4885

“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.