SCHEMBL2935868

SCHEMBL2935868

Nc1ncc(-c2ccc(C(=O)N3CCC(CO)CC3)cc2)nc1-c1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATR Q13535 14/20 0.62
KCNH2 Q12809 5/20 0.58
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
SCHEMBL2934243 0.85 KCNH2 (0.63) ATRKCNH2CHEK1
SCHEMBL2932693 0.83 KCNH2 (0.71) ATRKCNH2CHEK1
SCHEMBL2934236 0.83 KCNH2 (0.72) ATRKCNH2CHEK1
SCHEMBL2935463 0.82 KCNH2 (0.55) ATRKCNH2
SCHEMBL24628704 0.80 MGLL (0.52) ATR
SCHEMBL16425251 0.79 KCNH2 (0.68) ATRKCNH2CHEK1
SCHEMBL16425242 0.79 KCNH2 (0.60) ATRKCNH2CHEK1
SCHEMBL2933141 0.79 KCNH2 (0.54) ATRKCNH2CHEK1
SCHEMBL2933824 0.78 KCNH2 (0.55) ATRKCNH2
SCHEMBL2523450 0.77 ATR (1.00) ATR

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 ATR 556/4885KCNH2 1056/4885CHEK1 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.