SCHEMBL2933832

SCHEMBL2933832

COc1ccc2cc(-c3cncc(Nc4ccc(C(=O)N5CC[C@@H](N(C)C)C5)cc4OC)n3)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTK P33981 8/20 0.46
CDK2 P24941 4/20 0.46
CCNA2 P20248 3/20 0.46
AURKB Q96GD4 1/20 0.46
LRRK2 Q5S007 5/20 0.46
TLR9 Q9NR96 2/20 0.43
TLR8 Q9NR97 2/20 0.43
TLR7 Q9NYK1 2/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
ATR Q13535 1/20 0.42
BRAF P15056 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
SCHEMBL2927055 0.92 LRRK2 (0.46) TTKCDK2CCNA2AURKBLRRK2
SCHEMBL2928966 0.90 TTK (0.46) TTKCDK2CCNA2AURKBLRRK2
SCHEMBL14294176 0.88 LRRK2 (0.49) TTKCDK2CCNA2LRRK2TYK2
SCHEMBL13515314 0.87 LRRK2 (0.43) TTKCDK2CCNA2AURKBLRRK2
SCHEMBL14369255 0.87 LRRK2 (0.48) TTKCDK2CCNA2LRRK2TYK2
SCHEMBL2927135 0.86 LRRK2 (0.50) TTKCDK2CCNA2LRRK2TYK2
SCHEMBL2931379 0.86 LRRK2 (0.43) TTKCDK2CCNA2AURKBLRRK2
SCHEMBL13515306 0.83 LRRK2 (0.53) TTKLRRK2TLR9TLR8TLR7
SCHEMBL2925599 0.82 LRRK2 (0.53) TTKLRRK2
SCHEMBL2934807 0.82 LRRK2 (0.53) TTKLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP claimed
EP-2044051-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (publ) (SE) 2009-04-08 EP claimed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US claimed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 WO claimed
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
EP-2044051-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (publ) (SE) 2009-04-08 EP disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 TTK 266/4885CDK2 182/4885CCNA2 471/4885

“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.