SCHEMBL13838455

SCHEMBL13838455

Cc1ccncc1C(=O)Nc1cnc(-c2cc(Oc3ncccc3F)ccc2Cl)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
▸ IL2 P60568 7/20 0.42
▸ SCN9A Q15858 4/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ SCN5A Q14524 1/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ DRD1 P21728 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
SCHEMBL13838560 0.92 IL2 (0.49) STIM1ORAI1ORAI2IL2KMT2A
SCHEMBL21316350 0.89 IL2 (0.43) STIM1ORAI1ORAI2IL2KMT2A
SCHEMBL13838333 0.88 PPARG (0.41) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL13728209 0.88 STIM1 (0.45) STIM1ORAI1ORAI2IL2SCN9A
SCHEMBL13838440 0.87 IL2 (0.40) STIM1ORAI1ORAI2IL2SCN9A
SCHEMBL13838351 0.85 STIM1 (0.41) STIM1ORAI1ORAI2IL2KMT2A
SCHEMBL13728459 0.84 SCN9A (0.42) SCN9ASCN5ANPC1RAB9A
SCHEMBL15803769 0.84 TYK2 (0.48) STIM1ORAI1ORAI2IL2SCN9A
SCHEMBL13728913 0.83 IL2 (0.46) STIM1ORAI1ORAI2IL2KMT2A
SCHEMBL13728621 0.83 ABL1 (0.44) STIM1ORAI1ORAI2IL2KMT2A

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 13 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
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-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
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.

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