SCHEMBL13729804

SCHEMBL13729804

Cc1ccncc1C(=O)Nc1cnc(-c2cc(OC(C)C)ccc2Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.41
▸ IL2 P60568 3/20 0.41
▸ STIM1 Q13586 1/20 0.40
▸ ORAI1 Q96D31 1/20 0.40
▸ ORAI2 Q96SN7 1/20 0.40
▸ TYK2 P29597 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ XIAP P98170 1/20 0.37
▸ BIRC2 Q13490 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL15803769 0.90 TYK2 (0.48) BRAFIL2STIM1ORAI1ORAI2
SCHEMBL13729348 0.88 IL2 (0.40) IL2STIM1ORAI1ORAI2TYK2
SCHEMBL13838416 0.87 PORCN (0.44) BRAFTYK2LMNASCN9AXIAP
SCHEMBL13838333 0.87 PPARG (0.41) IL2STIM1ORAI1ORAI2TYK2
SCHEMBL13728621 0.87 ABL1 (0.44) IL2STIM1ORAI1ORAI2JAK2
SCHEMBL13727818 0.86 KDM1A (0.40) IL2STIM1ORAI1ORAI2
Hydrochloric Acid SCHEMBL13727702 0.85 KDM1A (0.40) IL2STIM1ORAI1ORAI2
SCHEMBL13838351 0.84 STIM1 (0.41) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL13727869 0.84 ABL1 (0.39) IL2STIM1ORAI1ORAI2
SCHEMBL13729245 0.84 GRM5 (0.42) IL2STIM1ORAI1ORAI2LMNA

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 19 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 claimed
US-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES PRCL Research Inc. (CA) 2017-08-17 — — US claimed
US-9604978-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2017-03-28 — — US claimed
US-20140171446-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-06-19 — — US claimed
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
EP-2704701-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES PRCL RES INC (CA) 2018-01-03 — — EP 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 BRAF 1736/4885IL2 13/4885STIM1 881/4885
US-10399967-B2 Compounds for inflammation and immune-related uses CXCL8, CCR1, CCR8 BRAF 1736/4885IL2 13/4885STIM1 881/4885
US-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 BRAF 1736/4885IL2 13/4885STIM1 881/4885

“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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