SCHEMBL2932839

SCHEMBL2932839

COc1cc(C(=O)N(C)C2CCN(C)C2)ccc1Nc1cncc(-c2cc3ccc(Cl)cc3[nH]2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.46
CDK2 P24941 5/20 0.46
CCNA2 P20248 4/20 0.46
IGF1R P08069 1/20 0.40
MCHR1 Q99705 3/20 0.40
PYGL P06737 1/20 0.39
AURKB Q96GD4 1/20 0.38
PTK2 Q05397 4/20 0.37
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
PFKFB3 Q16875 1/20 0.35
JAK1 P23458 1/20 0.35
LRRK2 Q5S007 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL2930408 0.95 TTK (0.43) TTKCDK2CCNA2IGF1RMCHR1
SCHEMBL2929142 0.94 PYGL (0.46) TTKCDK2CCNA2IGF1RMCHR1
SCHEMBL2927347 0.92 TTK (0.47) TTKCDK2CCNA2IGF1RMCHR1
SCHEMBL2925790 0.92 TTK (0.47) TTKCDK2CCNA2IGF1RMCHR1
SCHEMBL2932619 0.91 TTK (0.46) TTKCDK2CCNA2IGF1RMCHR1
Trifluoroacetic Acid SCHEMBL2934965 0.90 PYGL (0.42) TTKCDK2CCNA2IGF1RMCHR1
SCHEMBL2927688 0.89 TTK (0.46) TTKCDK2CCNA2IGF1RMCHR1
Trifluoroacetic Acid SCHEMBL2933549 0.89 TTK (0.44) TTKCDK2CCNA2IGF1RPTK2
SCHEMBL2932957 0.88 TTK (0.45) TTKCDK2CCNA2IGF1RMCHR1
SCHEMBL2929194 0.88 TTK (0.45) TTKCDK2CCNA2IGF1RMCHR1

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
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
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.