SCHEMBL2927014

SCHEMBL2927014

COc1cc(-c2nc(-c3ccc(C(=O)N4CCOCC4)cc3)cnc2N)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.61
ATR Q13535 6/20 0.58
JAK2 O60674 2/20 0.56
JAK1 P23458 2/20 0.56
TYK2 P29597 2/20 0.56
JAK3 P52333 2/20 0.56
NEK2 P51955 3/20 0.52
FYN P06241 1/20 0.51
HPGD P15428 1/20 0.50
LRRK2 Q5S007 2/20 0.48
ALDH1A1 P00352 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
SCHEMBL2932374 0.87 KCNH2 (0.68) KCNH2ATRHPGDLRRK2
SCHEMBL2932693 0.83 KCNH2 (0.71) KCNH2ATRHPGDLRRK2
SCHEMBL16425221 0.82 KCNH2 (0.70) KCNH2ATRHPGD
SCHEMBL16425222 0.81 KCNH2 (0.74) KCNH2ATRHPGDLRRK2
SCHEMBL15201341 0.78 KCNH2 (0.79) KCNH2ATRHPGD
SCHEMBL2933060 0.78 KCNH2 (0.67) KCNH2ATRHPGDLRRK2
SCHEMBL1679573 0.77 KMT2A (0.59) ATRJAK2JAK1TYK2JAK3
SCHEMBL15203083 0.76 KCNH2 (1.00) KCNH2ATRHPGD
SCHEMBL2934913 0.76 ATR (0.67) KCNH2ATRJAK2HPGDLRRK2
SCHEMBL2928980 0.76 KCNH2 (0.63) KCNH2ATRJAK2HPGDLRRK2

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 1056/4885ATR 556/4885JAK2 308/4885

“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.