SCHEMBL2933923

SCHEMBL2933923

Cc1cc(C(=O)N2CCN(C)CC2)ccc1-c1cnc(N)c(-c2ccc(O)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.57
ATR Q13535 6/20 0.54
CHEK1 O14757 1/20 0.52
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
CCNE2 O96020 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
GSK3B P49841 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
FYN P06241 1/20 0.43

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
SCHEMBL2928695 0.90 KCNH2 (0.55) KCNH2ATRCHEK1MKNK1MKNK2
SCHEMBL2934236 0.87 KCNH2 (0.72) KCNH2ATRCHEK1MKNK1MKNK2
SCHEMBL13515284 0.84 KCNH2 (0.56) KCNH2ATRCHEK1MKNK1MKNK2
SCHEMBL2936083 0.83 MKNK1 (0.50) ATRCHEK1MKNK1MKNK2ALDH1A1
SCHEMBL16425225 0.81 KCNH2 (0.72) KCNH2ATRCHEK1MKNK1MKNK2
Trifluoroacetic Acid SCHEMBL2931258 0.79 KCNH2 (0.57) KCNH2ATRCHEK1
SCHEMBL2932858 0.79 KCNH2 (0.58) KCNH2ATRCHEK1
SCHEMBL2931478 0.78 KCNH2 (0.56) KCNH2ATRCHEK1
SCHEMBL2961520 0.78 KCNH2 (0.53) KCNH2ATRCHEK1
SCHEMBL16425244 0.77 KCNH2 (0.79) KCNH2ATRCHEK1MKNK1MKNK2

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 5 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 disclosed
CN-101472912-A Pyridine and pyrazine derivatives as MNK kinase inhibitors BIOVITRUM AB PUBL (SE) 2009-07-01 CN 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

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 KCNH2 1056/4885ATR 556/4885CHEK1 162/4885

“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.