SCHEMBL2932858

SCHEMBL2932858

Nc1ncc(-c2ccc(C(=O)N3CCOCC3)cc2F)nc1-c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.58
ALOX5AP P20292 5/20 0.56
FEN1 P39748 5/20 0.56
ATR Q13535 5/20 0.53
HPGD P15428 2/20 0.47
PIK3CA P42336 1/20 0.47
LRRK2 Q5S007 1/20 0.47
CHEK1 O14757 1/20 0.47

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) KCNH2ALOX5APFEN1ATRHPGD
SCHEMBL2932693 0.87 KCNH2 (0.71) KCNH2ATRHPGDLRRK2CHEK1
SCHEMBL2934913 0.85 ATR (0.67) KCNH2ATRHPGDLRRK2
SCHEMBL2932374 0.80 KCNH2 (0.68) KCNH2ALOX5APFEN1ATRHPGD
SCHEMBL2933842 0.80 ATR (0.56) KCNH2ALOX5APFEN1ATRLRRK2
SCHEMBL2925588 0.80 LRRK2 (0.56) KCNH2ALOX5APFEN1ATRPIK3CA
SCHEMBL2933923 0.79 KCNH2 (0.57) KCNH2ATRCHEK1
SCHEMBL16425221 0.78 KCNH2 (0.70) KCNH2ATRHPGDCHEK1
SCHEMBL2932840 0.78 LRRK2 (0.55) KCNH2ALOX5APFEN1ATRPIK3CA
SCHEMBL15201341 0.77 KCNH2 (0.79) KCNH2ALOX5APFEN1ATRHPGD

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 6 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
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 1056/4885ALOX5AP 4094/4885FEN1 1864/4885

“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.