SCHEMBL5550933

SCHEMBL5550933

COc1ccc(OC)c(-c2cnc(NC(=O)c3c(F)cncc3F)cn2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 8/20 0.56
▸ ORAI1 Q96D31 3/20 0.49
▸ STIM1 Q13586 2/20 0.49
▸ ADORA3 P0DMS8 2/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ GAA P10253 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MITF O75030 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ORAI2 Q96SN7 1/20 0.41

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
SCHEMBL8257501 0.94 IL2 (0.51) IL2ORAI1STIM1ADORA3KMT2A
SCHEMBL5550953 0.92 IL2 (0.66) IL2ORAI1STIM1ADORA3KMT2A
SCHEMBL15395991 0.89 IL2 (0.56) IL2ORAI1STIM1KMT2ANPC1
SCHEMBL5550956 0.87 ORAI1 (0.67) IL2ORAI1STIM1ADORA3KMT2A
SCHEMBL8257494 0.81 IL2 (0.66) IL2ORAI1STIM1KMT2AMEN1
SCHEMBL2308590 0.80 IL2 (0.57) IL2ORAI1STIM1KMT2AMEN1
SCHEMBL15205746 0.80 IL2 (0.87) IL2
SCHEMBL5550650 0.79 ORAI1 (0.52) IL2ORAI1STIM1ADORA3KMT2A
SCHEMBL15214058 0.77 IL2 (0.50) IL2ORAI1STIM1NPC1GAA
SCHEMBL8260166 0.77 ALDH1A1 (0.47) IL2ADORA3KMT2AMEN1NPC1

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 22 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
EP-1848435-B1 COMPOUNDS AGAINST INFLAMMATIONS AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2016-01-20 — — EP 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 21/4885ORAI1 1129/4885STIM1 2094/4885
US-20130309272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR9, CXCR2 IL2 22/4885ORAI1 1101/4885STIM1 2122/4885
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 9/4885ORAI1 2319/4885STIM1 2611/4885

“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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