SCHEMBL2935463

SCHEMBL2935463

Nc1ncc(-c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2)nc1-c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.55
ATR Q13535 6/20 0.53
HRH3 Q9Y5N1 1/20 0.51
PIK3CA P42336 1/20 0.49
MTOR P42345 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ACACB O00763 2/20 0.48
ACACA Q13085 2/20 0.48
KDM4E B2RXH2 3/20 0.48
POLB P06746 1/20 0.47
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
SCHEMBL2934243 0.88 KCNH2 (0.63) KCNH2ATR
SCHEMBL2934236 0.83 KCNH2 (0.72) KCNH2ATR
SCHEMBL2935868 0.82 ATR (0.62) KCNH2ATR
SCHEMBL2932693 0.81 KCNH2 (0.71) KCNH2ATR
SCHEMBL15509621 0.81 L3MBTL3 (0.69) HRH3L3MBTL3L3MBTL1KDM4EPOLB
SCHEMBL2933824 0.78 KCNH2 (0.55) KCNH2ATRALDH1A1
SCHEMBL16425242 0.76 KCNH2 (0.60) KCNH2ATR
SCHEMBL16425251 0.76 KCNH2 (0.68) KCNH2ATR
SCHEMBL2933141 0.76 KCNH2 (0.54) KCNH2ATR
SCHEMBL2930631 0.75 ACVR2A (0.57) KCNH2ATR

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 556/4885HRH3 936/4885

“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.