SCHEMBL2931478

SCHEMBL2931478

CN1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4ccc(O)cc4)n3)cc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.56
ATR Q13535 12/20 0.54
CHEK1 O14757 1/20 0.51
MET P08581 1/20 0.50
MTOR P42345 4/20 0.49
PIK3CA P42336 2/20 0.48

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
SCHEMBL13515284 0.90 KCNH2 (0.56) KCNH2ATRCHEK1MTORPIK3CA
SCHEMBL2961520 0.89 KCNH2 (0.53) KCNH2ATRCHEK1METMTOR
Trifluoroacetic Acid SCHEMBL2931258 0.86 KCNH2 (0.57) KCNH2ATRCHEK1
SCHEMBL2934236 0.84 KCNH2 (0.72) KCNH2ATRCHEK1
SCHEMBL2927137 0.79 GSK3B (0.61) KCNH2CHEK1
SCHEMBL2925588 0.79 LRRK2 (0.56) KCNH2ATRCHEK1MTORPIK3CA
SCHEMBL2931261 0.79 KCNH2 (0.56) KCNH2ATRCHEK1
SCHEMBL2933923 0.78 KCNH2 (0.57) KCNH2ATRCHEK1
SCHEMBL2932840 0.77 LRRK2 (0.55) KCNH2ATRMETMTORPIK3CA
SCHEMBL16425225 0.76 KCNH2 (0.72) KCNH2ATRCHEK1

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 disclosed
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
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 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.