SCHEMBL5999509

SCHEMBL5999509

Cc1c(F)c(F)c(Cl)c(-c2cnc(NC(=O)c3c(F)cccc3F)cn2)c1F

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 12/20 0.54
▸ STIM1 Q13586 1/20 0.53
▸ ORAI1 Q96D31 1/20 0.53
▸ ORAI2 Q96SN7 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SCN9A Q15858 2/20 0.43
▸ BRD4 O60885 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5998475 0.85 IL2 (0.50) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL5998577 0.83 L3MBTL1 (0.46) IL2STIM1ORAI1ORAI2L3MBTL1
SCHEMBL5999084 0.82 IL2 (0.51) IL2STIM1ORAI1ORAI2ALDH1A1
SCHEMBL5998369 0.80 IL2 (0.45) IL2STIM1ORAI1ORAI2KMT2A
SCHEMBL1701180 0.77 IL2 (0.51) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL15395777 0.76 STIM1 (0.63) IL2STIM1ORAI1ORAI2L3MBTL1
SCHEMBL15395892 0.76 STIM1 (0.63) IL2STIM1ORAI1ORAI2L3MBTL1
SCHEMBL11911928 0.75 MEN1 (0.59) IL2STIM1ORAI1ORAI2L3MBTL1
SCHEMBL15527973 0.75 MEN1 (0.59) IL2STIM1ORAI1ORAI2L3MBTL1
SCHEMBL5998235 0.75 IL2 (0.44) IL2STIM1ORAI1ORAI2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (2 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-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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