SCHEMBL2891817

SCHEMBL2891817

Cc1sc(C=O)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 2/20 0.53
▸ ORAI1 Q96D31 2/20 0.53
▸ ORAI2 Q96SN7 1/20 0.53
▸ IL2 P60568 12/20 0.52
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GAA P10253 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL15249605 0.83 STIM1 (0.53) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL2315236 0.80 IL2 (0.50) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL2893273 0.80 STIM1 (0.50) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL2892211 0.80 IL2 (0.49) STIM1ORAI1ORAI2IL2
SCHEMBL3643758 0.79 IL2 (0.49) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL7926057 0.79 IL2 (0.55) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL2895062 0.79 STIM1 (0.49) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL2894140 0.79 IL2 (0.53) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL15268309 0.78 IL2 (0.47) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL15395773 0.77 STIM1 (0.57) STIM1ORAI1ORAI2IL2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184994-B1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-09-25 — — EP disclosed
US-20130236481-A1 HETEROCYCLE -ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-09-12 — — US disclosed
US-20130236481-A1 HETEROCYCLE -ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-09-12 — — US disclosed
US-8435996-B2 Heterocycle-aryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-05-07 — — US disclosed
US-8435996-B2 Heterocycle-aryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-05-07 — — US disclosed
US-8435996-B2 Heterocycle-aryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-05-07 — — US disclosed
US-20100286103-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-11 — — US disclosed
US-20100286103-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-11 — — US disclosed
US-20100286103-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-11 — — US disclosed
EP-2184994-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-19 — — EP disclosed
WO-2009017818-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 — — WO 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-20130236481-A1 HETEROCYCLE -ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES AHR, NFATC1, ICOS STIM1 599/4885ORAI1 2725/4885ORAI2 856/4885
US-20100286103-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES AHR, NFATC1, ICOS STIM1 599/4885ORAI1 2725/4885ORAI2 856/4885

“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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