SCHEMBL13728209

SCHEMBL13728209

COc1cc(C)c(C(=O)Nc2cnc(-c3cc(Oc4ncccc4F)ccc3Cl)cn2)cn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 1/20 0.45
▸ ORAI1 Q96D31 1/20 0.45
▸ ORAI2 Q96SN7 1/20 0.45
▸ SCN9A Q15858 12/20 0.41
▸ SCN5A Q14524 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ IL2 P60568 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ P2RX3 P56373 1/20 0.37

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
SCHEMBL13838455 0.88 STIM1 (0.45) STIM1ORAI1ORAI2SCN9ASCN5A
SCHEMBL13838560 0.80 IL2 (0.49) STIM1ORAI1ORAI2KDM4ENPC1
SCHEMBL13728913 0.78 IL2 (0.46) STIM1ORAI1ORAI2KDM4EIL2
SCHEMBL21316350 0.77 IL2 (0.43) STIM1ORAI1ORAI2KDM4EL3MBTL1
SCHEMBL13838440 0.77 IL2 (0.40) STIM1ORAI1ORAI2SCN9AKDM4E
SCHEMBL13838333 0.75 PPARG (0.41) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL13838392 0.75 STIM1 (0.43) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL13838351 0.75 STIM1 (0.41) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL15803769 0.75 TYK2 (0.48) STIM1ORAI1ORAI2SCN9ASCN5A
SCHEMBL13727794 0.75 STIM1 (0.43) STIM1ORAI1ORAI2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399967-B2 Compounds for inflammation and immune-related uses PRCL Research Inc. (CA) 2019-09-03 — — US disclosed
US-10399967-B2 Compounds for inflammation and immune-related uses PRCL Research Inc. (CA) 2019-09-03 — — US disclosed
US-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES PRCL Research Inc. (CA) 2017-08-17 — — US disclosed
US-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES PRCL Research Inc. (CA) 2017-08-17 — — US disclosed
US-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES PRCL Research Inc. (CA) 2017-08-17 — — US disclosed
US-9604978-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2017-03-28 — — US disclosed
US-9604978-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2017-03-28 — — US disclosed
US-9604978-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2017-03-28 — — US disclosed
US-20140171446-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-06-19 — — US disclosed
US-20140171446-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-06-19 — — US disclosed
US-20140171446-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-06-19 — — US disclosed
EP-2704701-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corp. (US) 2014-03-12 — — EP disclosed
WO-2012151355-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 — — WO disclosed
WO-2012151355-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 — — 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 (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-20140171446-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 STIM1 881/4885ORAI1 752/4885ORAI2 1397/4885
US-10399967-B2 Compounds for inflammation and immune-related uses CXCL8, CCR1, CCR8 STIM1 881/4885ORAI1 752/4885ORAI2 1397/4885
US-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 STIM1 881/4885ORAI1 752/4885ORAI2 1397/4885

“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.

Send feedback