SCHEMBL13730842

SCHEMBL13730842

Cc1ccncc1C(=O)Nc1cnc(-c2cc(-c3cnn(C)c3)ccc2Cl)cn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 11/20 0.48
▸ WNT1 P04628 10/20 0.48
▸ GSK3B P49841 8/20 0.48
▸ CLK2 P49760 1/20 0.47
▸ CLK3 P49761 1/20 0.47
▸ IL2 P60568 3/20 0.46
▸ CSNK1D P48730 1/20 0.44
▸ CSNK1E P49674 1/20 0.44
▸ IKBKE Q14164 1/20 0.43
▸ TBK1 Q9UHD2 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.41
▸ S1PR2 O95136 1/20 0.41
▸ ABL1 P00519 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
Hydrochloric Acid SCHEMBL15793362 0.99 DYRK1A (0.47) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL13838505 0.92 IL2 (0.53) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL13838400 0.90 DYRK1A (0.50) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL13838430 0.89 DYRK1A (0.45) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL13838404 0.89 DYRK1A (0.47) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL13838355 0.88 DYRK1A (0.46) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL13727071 0.88 DYRK1A (0.47) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL13838349 0.86 LRRK2 (0.46) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL13838556 0.86 IL2 (0.44) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL13838532 0.86 DYRK1A (0.44) DYRK1AWNT1GSK3BCLK2CLK3

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

“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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