SCHEMBL2931379

SCHEMBL2931379

COc1cc(C(=O)N2CC[C@H](N(C)C)C2)ccc1Nc1cncc(-c2cc3cc([N+](=O)[O-])ccc3[nH]2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.43
TLR9 Q9NR96 3/20 0.41
TLR7 Q9NYK1 3/20 0.41
TLR8 Q9NR97 2/20 0.41
TTK P33981 10/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
AURKB Q96GD4 1/20 0.41
TYK2 P29597 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37

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 0.88 LRRK2 (0.46) LRRK2TLR9TLR7TLR8TTK
SCHEMBL13515314 0.88 LRRK2 (0.43) LRRK2TLR9TLR7TLR8TTK
SCHEMBL2928966 0.87 TTK (0.46) LRRK2TLR9TLR7TLR8TTK
SCHEMBL2933832 0.86 TTK (0.46) LRRK2TLR9TLR7TLR8TTK
SCHEMBL2933015 0.79 KDR (0.45) LRRK2TTKCCNA2CDK2TYK2
SCHEMBL2934807 0.78 LRRK2 (0.53) LRRK2TTK
SCHEMBL13515306 0.78 LRRK2 (0.53) LRRK2TLR9TLR7TLR8TTK
SCHEMBL2925599 0.78 LRRK2 (0.53) LRRK2TTK
Hydrochloric Acid SCHEMBL2930596 0.78 KDR (0.45) LRRK2TTKCCNA2CDK2TYK2
SCHEMBL2927501 0.78 KDR (0.53) LRRK2TTKCCNA2CDK2

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 7 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
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

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 LRRK2 309/4885TLR9 3290/4885TLR7 3085/4885

“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.