SCHEMBL13838404

SCHEMBL13838404

CCc1ccc(-c2cnn(C)c2)cc1-c1cnc(NC(=O)c2cnccc2C)cn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 11/20 0.47
▸ GSK3B P49841 10/20 0.47
▸ WNT1 P04628 9/20 0.47
▸ CLK2 P49760 1/20 0.47
▸ CLK3 P49761 1/20 0.47
▸ MAP4K1 Q92918 1/20 0.46
▸ IL2 P60568 2/20 0.45
▸ LRRK2 Q5S007 2/20 0.42
▸ IKBKE Q14164 1/20 0.42
▸ TBK1 Q9UHD2 1/20 0.42
▸ CSNK1D P48730 1/20 0.41
▸ CSNK1E P49674 1/20 0.41

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
SCHEMBL13838505 0.91 IL2 (0.53) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL13728018 0.90 DYRK1A (0.49) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL13838349 0.89 LRRK2 (0.46) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL13730842 0.89 DYRK1A (0.48) DYRK1AGSK3BWNT1CLK2CLK3
Hydrochloric Acid SCHEMBL15793362 0.88 DYRK1A (0.47) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL13727071 0.87 DYRK1A (0.47) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL13838394 0.85 DYRK1A (0.47) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL13728877 0.84 AXL (0.45) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL15803768 0.83 IL2 (0.43) MAP4K1IL2
SCHEMBL13838315 0.83 IL2 (0.42) DYRK1AGSK3BWNT1MAP4K1IL2

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 16 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-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
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 DYRK1A 4257/4885GSK3B 1579/4885WNT1 1992/4885
US-10399967-B2 Compounds for inflammation and immune-related uses CXCL8, CCR1, CCR8 DYRK1A 4257/4885GSK3B 1579/4885WNT1 1992/4885
US-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 DYRK1A 4257/4885GSK3B 1579/4885WNT1 1992/4885

“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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