SCHEMBL5550900

SCHEMBL5550900

COc1ncc(-c2ccco2)cc1-c1cnc(NC(=O)c2ccncc2F)cn1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 5/20 0.52
▸ STIM1 Q13586 1/20 0.42
▸ ORAI1 Q96D31 1/20 0.42
▸ LCLAT1 Q6UWP7 8/20 0.41
▸ ABCB1 P08183 1/20 0.40
▸ ABCC1 P33527 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ AXL P30530 1/20 0.39
▸ MCL1 Q07820 3/20 0.38

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
SCHEMBL8257714 0.90 IL2 (0.45) IL2LCLAT1ABCB1ABCC1ADORA2B
SCHEMBL5554217 0.90 IL2 (0.49) IL2STIM1ORAI1ADORA2BADORA1
SCHEMBL5550551 0.87 IL2 (0.54) IL2STIM1ORAI1LCLAT1AXL
SCHEMBL8257720 0.86 IL2 (0.49) IL2STIM1ORAI1ADORA2BADORA1
SCHEMBL5554279 0.85 IL2 (0.53) IL2STIM1ORAI1ABCB1ABCC1
SCHEMBL15214057 0.82 IL2 (0.54) IL2STIM1ORAI1ABCB1ABCC1
SCHEMBL5550479 0.82 IL2 (0.51) IL2STIM1ORAI1ABCB1ABCC1
SCHEMBL5554321 0.82 IL2 (0.51) IL2STIM1ORAI1ABCB1ABCC1
SCHEMBL5554320 0.76 IL2 (0.47) IL2STIM1ORAI1ADORA2BADORA1
SCHEMBL8251256 0.76 IL2 (0.46) IL2ABCB1ABCC1

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 25 patents — showing the first 20. 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
US-9493427-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2016-11-15 — — US disclosed
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-20150266829-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES PRCL Research Inc. (CA) 2015-09-24 — — 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
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
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 IL2 21/4885STIM1 2094/4885ORAI1 1129/4885
US-20130309272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR9, CXCR2 IL2 22/4885STIM1 2122/4885ORAI1 1101/4885
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 IL2 9/4885STIM1 2611/4885ORAI1 2319/4885

“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.

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