SCHEMBL5550520

SCHEMBL5550520

Cc1ccc(-c2nncs2)cc1-c1cnc(C(N)=O)cn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.39
DYRK1A Q13627 5/20 0.39
IL2 P60568 10/20 0.37
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
TGFBR1 P36897 1/20 0.33
WNT1 P04628 4/20 0.33
SIRT6 Q8N6T7 1/20 0.33
CHEK1 O14757 1/20 0.32
CHEK2 O96017 1/20 0.32

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
SCHEMBL5554284 0.83 CHEK2 (0.49) GSK3BIL2CHEK1CHEK2
SCHEMBL5550526 0.82 FEN1 (0.46)
SCHEMBL5556051 0.81 CHEK1 (0.48) GSK3BIL2TGFBR1CHEK1CHEK2
SCHEMBL5550903 0.77 ALDH1A1 (0.40) IL2
SCHEMBL5550504 0.76 GSK3B (0.38) GSK3BIL2TGFBR1SIRT6
SCHEMBL5550547 0.74 IL2 (0.63) GSK3BDYRK1AIL2WNT1
SCHEMBL5273682 0.74 IKBKB (0.41) GSK3BDYRK1AIL2FGFR3KDR
SCHEMBL5554309 0.74 IL2 (0.53) GSK3BDYRK1AIL2WNT1
SCHEMBL15214060 0.74 IL2 (0.43) GSK3BDYRK1AIL2WNT1
SCHEMBL5554203 0.74 IL2 (0.46) GSK3BIL2TGFBR1

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 GSK3B 1339/4885DYRK1A 4588/4885IL2 21/4885
US-20130309272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR9, CXCR2 GSK3B 1313/4885DYRK1A 4590/4885IL2 22/4885
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 GSK3B 4795/4885DYRK1A 3523/4885IL2 9/4885

“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.