SCHEMBL14895829

SCHEMBL14895829

Cn1cc(-c2ccc(Cl)c(-c3cnc(NC(=O)c4cccc(F)c4F)cn3)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 7/20 0.46
▸ GSK3B P49841 6/20 0.46
▸ WNT1 P04628 5/20 0.46
▸ STIM1 Q13586 1/20 0.45
▸ ORAI1 Q96D31 1/20 0.45
▸ ORAI2 Q96SN7 1/20 0.45
▸ IL2 P60568 5/20 0.44
▸ MET P08581 3/20 0.44
▸ MAPK1 P28482 3/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.42

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
SCHEMBL14908549 0.88 MAPK1 (0.46) DYRK1AGSK3BWNT1IL2MET
SCHEMBL13838556 0.85 IL2 (0.44) DYRK1AGSK3BWNT1STIM1ORAI1
SCHEMBL13838355 0.82 DYRK1A (0.46) DYRK1AGSK3BWNT1IL2CLK2
SCHEMBL13730842 0.81 DYRK1A (0.48) DYRK1AGSK3BWNT1IL2CLK2
SCHEMBL13838430 0.81 DYRK1A (0.45) DYRK1AGSK3BWNT1IL2CLK2
Hydrochloric Acid SCHEMBL15793362 0.81 DYRK1A (0.47) DYRK1AGSK3BWNT1IL2CLK2
SCHEMBL13838532 0.80 DYRK1A (0.44) DYRK1AGSK3BWNT1IL2CLK2
SCHEMBL13727775 0.79 DYRK1A (0.43) DYRK1AGSK3BWNT1IL2CLK2
SCHEMBL13838537 0.78 DYRK1A (0.42) DYRK1AGSK3BWNT1IL2CLK2
SCHEMBL13838356 0.75 DYRK1A (0.46) DYRK1AGSK3BWNT1METMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corp. (US) 2014-09-03 — — EP disclosed
US-20140242099-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-08-28 — — US disclosed
US-20140242099-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-08-28 — — US disclosed
US-20140242099-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-08-28 — — US disclosed
WO-2013063385-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-05-02 — — WO disclosed
WO-2013063385-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-05-02 — — 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 (1 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-20140242099-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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