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SCHEMBL2928684

SCHEMBL2928684

COc1cc(C(=O)N2CCN(CCO)CC2)ccc1Nc1cncc(-c2cc3ccccc3[nH]2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.44
▸ DRD3 P35462 5/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ TLR8 Q9NR97 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.42
▸ TTK P33981 5/20 0.42
▸ DRD2 P14416 2/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ VCP P55072 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ TAF1 P21675 1/20 0.41
▸ NUAK1 O60285 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ CASP3 P42574 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
SCHEMBL2930462 0.93 DYRK1A (0.46) LRRK2DRD3TLR9TLR8TLR7
SCHEMBL2926010 0.92 LRRK2 (0.53) LRRK2TLR9TLR8TLR7TTK
SCHEMBL2930788 0.91 KDR (0.50) LRRK2TTKDYRK1AKDRBRD4
SCHEMBL14294231 0.90 LRRK2 (0.49) LRRK2TTK
SCHEMBL2927025 0.89 KDR (0.47) LRRK2TLR9TLR8TLR7TTK
SCHEMBL2929459 0.88 VCP (0.45) LRRK2TLR9TLR8TLR7TTK
SCHEMBL2930665 0.88 LRRK2 (0.53) LRRK2DYRK1A
Trifluoroacetic Acid SCHEMBL2933461 0.87 DYRK1A (0.48) LRRK2TTKDYRK1AKDRBRD4
SCHEMBL2934905 0.84 TTK (0.46) LRRK2TTKCCNA2CDK2
SCHEMBL2927501 0.84 KDR (0.53) LRRK2TTKKDRBRD4TAF1

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 8 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
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 — — US claimed
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 — — EP disclosed
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
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 LRRK2 309/4885DRD3 2932/4885TLR9 3290/4885

“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.