SCHEMBL2934913

SCHEMBL2934913

Nc1ncc(-c2cccc(C(=O)N3CCOCC3)c2)nc1-c1ccc(O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 9/20 0.67
HPGD P15428 2/20 0.65
KCNH2 Q12809 2/20 0.59
LRRK2 Q5S007 1/20 0.54
PLK4 O00444 1/20 0.52
JAK2 O60674 1/20 0.52
MAP4K4 O95819 1/20 0.52
ROS1 P08922 1/20 0.52
FGFR1 P11362 1/20 0.52
FLT1 P17948 1/20 0.52
MARK3 P27448 1/20 0.52
FLT4 P35916 1/20 0.52
KDR P35968 1/20 0.52
FLT3 P36888 1/20 0.52
CLK2 P49760 1/20 0.52
CSNK1G2 P78368 1/20 0.52
MAP4K2 Q12851 1/20 0.52
ROCK1 Q13464 1/20 0.52
NTRK3 Q16288 1/20 0.52
MINK1 Q8N4C8 1/20 0.52

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
SCHEMBL2932693 0.89 KCNH2 (0.71) ATRHPGDKCNH2LRRK2
SCHEMBL2932858 0.85 KCNH2 (0.58) ATRHPGDKCNH2LRRK2
SCHEMBL2928695 0.84 KCNH2 (0.55) ATRHPGDKCNH2LRRK2
SCHEMBL11909372 0.84 ATR (0.77) ATRHPGDLRRK2PLK4JAK2
SCHEMBL2932840 0.84 LRRK2 (0.55) ATRKCNH2LRRK2
SCHEMBL2925588 0.84 LRRK2 (0.56) ATRKCNH2LRRK2JAK2
SCHEMBL29458584 0.80 ATR (1.00) ATR
SCHEMBL3063607 0.80 ATR (1.00) ATR
SCHEMBL2933169 0.80 ATR (0.63) ATR
SCHEMBL16425221 0.80 KCNH2 (0.70) ATRHPGDKCNH2

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 ATR 556/4885HPGD 3066/4885KCNH2 1056/4885

“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.