SCHEMBL5554292

SCHEMBL5554292

NC(=O)c1cnc(-c2cc(-c3nnco3)ccc2Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.43
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
BACE1 P56817 2/20 0.38
BACE2 Q9Y5Z0 2/20 0.38
MAPK1 P28482 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
PARP1 P09874 1/20 0.36
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
RAB9A P51151 1/20 0.35
GSK3B P49841 1/20 0.35
TSHR P16473 1/20 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
SCHEMBL5550903 0.86 ALDH1A1 (0.40) NOTUMHPGDALDH1A1BACE1BACE2
SCHEMBL5550512 0.83 GSK3B (0.40) BACE1BACE2SIRT6GSK3B
SCHEMBL5554296 0.82 NOTUM (0.48) NOTUMHPGDALDH1A1BACE1BACE2
SCHEMBL5550661 0.81 NOTUM (0.40) NOTUMSIRT6HTTPARP1GAA
SCHEMBL5551028 0.76 NOTUM (0.38) NOTUMALDH1A1BACE1BACE2SIRT6
SCHEMBL5270841 0.74 NOTUM (0.48) NOTUMHPGDALDH1A1BACE1BACE2
SCHEMBL5555356 0.74 IL2 (0.51) NOTUM
SCHEMBL5550911 0.72 IL2 (0.47) NOTUMALDH1A1GAARAB9A
SCHEMBL5550941 0.72 IL2 (0.53) NOTUMRAB9A
SCHEMBL15214062 0.72 POLB (0.42) NOTUMLMNAHTTGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1848435-B1 COMPOUNDS AGAINST INFLAMMATIONS AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2016-01-20 EP claimed
US-9090570-B2 Compounds for inflammation and immune-related uses PRCL Research Inc. (CA) 2015-07-28 US claimed
US-20130309272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-11-21 US claimed
US-8518950-B2 pyrazinyl, pyrimidinyl and pyridazinyl derivatives such asN-[5-(2-Chloro-5-trifluoromethyl-phenyl)-pyrazin-2-yl]-2,6-difluoro-benzamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-08-27 US claimed
EP-1848435-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-10-31 EP claimed
WO-2006081391-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 WO claimed
US-20060173021-A1 pyrazinyl, pyrimidinyl and pyridazinyl derivatives such asN-[5-(2-Chloro-5-trifluoromethyl-phenyl)-pyrazin-2-yl]-2,6-difluoro-benzamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 US claimed
US-9493427-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2016-11-15 US disclosed
EP-1848435-B1 COMPOUNDS AGAINST INFLAMMATIONS AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2016-01-20 EP disclosed
US-20150266829-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES PRCL Research Inc. (CA) 2015-09-24 US disclosed
US-9090570-B2 Compounds for inflammation and immune-related uses PRCL Research Inc. (CA) 2015-07-28 US disclosed
US-20130309272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-11-21 US disclosed
US-8518950-B2 pyrazinyl, pyrimidinyl and pyridazinyl derivatives such asN-[5-(2-Chloro-5-trifluoromethyl-phenyl)-pyrazin-2-yl]-2,6-difluoro-benzamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-08-27 US disclosed
EP-1848435-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-10-31 EP disclosed
WO-2006081391-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 WO disclosed
US-20060173021-A1 pyrazinyl, pyrimidinyl and pyridazinyl derivatives such asN-[5-(2-Chloro-5-trifluoromethyl-phenyl)-pyrazin-2-yl]-2,6-difluoro-benzamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 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-20150266829-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR9, CXCR2 NOTUM 2440/4885HPGD 1345/4885ALDH1A1 1828/4885
US-20130309272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR9, CXCR2 NOTUM 2478/4885HPGD 1370/4885ALDH1A1 1832/4885
US-20060173021-A1 pyrazinyl, pyrimidinyl and pyridazinyl derivatives such asN-[5-(2-Chloro-5-trifluoromethyl-phenyl)-pyrazin-2-yl]-2,6-difluoro-benzamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders TPMT, IL5, NAT1 NOTUM 2094/4885HPGD 3453/4885ALDH1A1 2181/4885

“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.