SCHEMBL2930359

SCHEMBL2930359

COc1cc(C(=O)N(C)C2CCN(C)C2)ccc1Nc1cncc(-c2cc3c(F)cccc3[nH]2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTK P33981 8/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
IGF1R P08069 1/20 0.41
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
PTK2 Q05397 4/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRAF P15056 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
Trifluoroacetic Acid SCHEMBL2933156 0.96 TTK (0.42) TTKCCNA2CDK2IGF1RTLR9
SCHEMBL2932316 0.94 TTK (0.45) TTKCCNA2CDK2IGF1RTLR9
Trifluoroacetic Acid SCHEMBL2930638 0.91 TTK (0.42) TTKCCNA2CDK2IGF1RTLR9
SCHEMBL2926117 0.90 TTK (0.41) TTKCCNA2CDK2IGF1RPTK2
SCHEMBL2932619 0.89 TTK (0.46) TTKCCNA2CDK2IGF1RTLR9
SCHEMBL2927347 0.88 TTK (0.47) TTKCCNA2CDK2IGF1RTLR9
SCHEMBL2932957 0.88 TTK (0.45) TTKCCNA2CDK2IGF1RTLR9
Trifluoroacetic Acid SCHEMBL2932629 0.86 TTK (0.43) TTKCCNA2CDK2IGF1RPTK2
Trifluoroacetic Acid SCHEMBL2933251 0.86 PTK2 (0.39) TTKCCNA2CDK2IGF1RPTK2
SCHEMBL2927688 0.86 TTK (0.46) TTKCCNA2CDK2IGF1RTLR9

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 266/4885CCNA2 471/4885CDK2 182/4885

“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.