SCHEMBL4761818

SCHEMBL4761818

COc1ncc(Cl)cc1-c1ccc(NC(=O)c2ccncc2F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ORAI1 Q96D31 3/20 0.65
▸ STIM1 Q13586 2/20 0.65
▸ KCNMA1 Q12791 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ TYK2 P29597 2/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP11B2 P19099 1/20 0.45
▸ TRPC1 P48995 1/20 0.45
▸ TRPC3 Q13507 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.44
▸ CRACR2A Q9BSW2 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ GPBAR1 Q8TDU6 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL4761819 0.88 STIM1 (0.50) ORAI1STIM1KCNMA1L3MBTL1KMT2A
SCHEMBL1823693 0.85 ORAI1 (0.81) ORAI1STIM1KCNMA1L3MBTL1KMT2A
SCHEMBL4766505 0.83 IL2 (0.53) ORAI1STIM1TYK2JAK2LMNA
SCHEMBL5550479 0.82 IL2 (0.51) ORAI1STIM1KCNMA1L3MBTL1KMT2A
SCHEMBL8263132 0.79 IL2 (0.47) ORAI1STIM1FFAR4RAB9A
SCHEMBL29706899 0.79 ORAI1 (1.00) ORAI1STIM1KCNMA1L3MBTL1KMT2A
SCHEMBL1829334 0.79 ORAI1 (1.00) ORAI1STIM1KCNMA1L3MBTL1KMT2A
SCHEMBL1828476 0.77 STIM1 (0.63) ORAI1STIM1KCNMA1KMT2ATYK2
SCHEMBL16363185 0.77 ORAI1 (0.78) ORAI1STIM1KCNMA1L3MBTL1KMT2A
SCHEMBL3809188 0.77 STIM1 (0.62) ORAI1STIM1L3MBTL1KMT2ATYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846372-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-04-16 — — EP claimed
EP-1846372-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-04-16 — — EP disclosed
EP-1846372-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-04-16 — — EP disclosed
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-06 — — US disclosed
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-06 — — US disclosed
US-8592486-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-11-26 — — US disclosed
US-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-09-06 — — US disclosed
US-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-09-06 — — US disclosed
US-8202999-B2 biphenyl and pyridylphenyl derivatives such as 2,6-Difluoro-N-[2'-methyl-5'-(pyridine-3-yl)-biphenyl-4-yl]-benzamide, used as immunosuppressants for the treatmet or prevent allergies, inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2012-06-19 — — US disclosed
US-8202999-B2 biphenyl and pyridylphenyl derivatives such as 2,6-Difluoro-N-[2'-methyl-5'-(pyridine-3-yl)-biphenyl-4-yl]-benzamide, used as immunosuppressants for the treatmet or prevent allergies, inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2012-06-19 — — US disclosed
US-8202999-B2 biphenyl and pyridylphenyl derivatives such as 2,6-Difluoro-N-[2'-methyl-5'-(pyridine-3-yl)-biphenyl-4-yl]-benzamide, used as immunosuppressants for the treatmet or prevent allergies, inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2012-06-19 — — US disclosed
EP-1846372-A4 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2008-12-17 — — EP disclosed
EP-1846372-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-10-24 — — EP disclosed
WO-2006083477-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-10 — — WO disclosed
US-20060173006-A1 Compounds for inflammation and immune-related uses 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-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR8, CXCR2 ORAI1 1677/4885STIM1 2239/4885KCNMA1 2245/4885
US-20060173006-A1 Compounds for inflammation and immune-related uses CXCL8, CCR8, CXCR2 ORAI1 1677/4885STIM1 2239/4885KCNMA1 2245/4885
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR8, CXCR2 ORAI1 1677/4885STIM1 2239/4885KCNMA1 2245/4885

“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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