SCHEMBL13728621

SCHEMBL13728621

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.44
▸ FFAR4 Q5NUL3 3/20 0.41
▸ IL2 P60568 2/20 0.41
▸ PDE2A O00408 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ CACNA1C Q13936 1/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ STIM1 Q13586 1/20 0.41
▸ ORAI1 Q96D31 1/20 0.41
▸ ORAI2 Q96SN7 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ JAK2 O60674 1/20 0.40

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 0.89 TYK2 (0.48) IL2SCN5AKMT2AATMSTIM1
SCHEMBL13727611 0.88 IL2 (0.41) ABL1IL2F10NPC1RAB9A
SCHEMBL13728914 0.87 IL2 (0.40) ABL1IL2PDE2AKMT2AF10
SCHEMBL13729804 0.87 BRAF (0.41) IL2STIM1ORAI1ORAI2F10
SCHEMBL13728380 0.86 IL2 (0.40) ABL1IL2PDE2AKMT2AF10
SCHEMBL13729348 0.86 IL2 (0.40) IL2KMT2ASTIM1ORAI1ORAI2
SCHEMBL13838333 0.85 PPARG (0.41) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL13727818 0.84 KDM1A (0.40) ABL1IL2STIM1ORAI1ORAI2
Hydrochloric Acid SCHEMBL13727702 0.84 KDM1A (0.40) ABL1IL2STIM1ORAI1ORAI2
SCHEMBL13838503 0.83 STIM1 (0.41) IL2KMT2AATMSTIM1ORAI1

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 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-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
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 ABL1 4267/4885FFAR4 367/4885IL2 13/4885
US-10399967-B2 Compounds for inflammation and immune-related uses CXCL8, CCR1, CCR8 ABL1 4267/4885FFAR4 367/4885IL2 13/4885
US-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 ABL1 4267/4885FFAR4 367/4885IL2 13/4885

“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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