SCHEMBL2932840

SCHEMBL2932840

Nc1ncc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)nc1-c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.55
ATR Q13535 7/20 0.53
KCNH2 Q12809 2/20 0.52
MTOR P42345 3/20 0.47
PIK3CA P42336 2/20 0.47
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
GSK3A P49840 1/20 0.46
ALOX5AP P20292 2/20 0.46
FEN1 P39748 2/20 0.46
MET P08581 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
BRD9 Q9H8M2 1/20 0.44

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
SCHEMBL2961520 0.88 KCNH2 (0.53) LRRK2ATRKCNH2MTORPIK3CA
SCHEMBL2925588 0.88 LRRK2 (0.56) LRRK2ATRKCNH2MTORPIK3CA
SCHEMBL2934913 0.84 ATR (0.67) LRRK2ATRKCNH2
SCHEMBL2932693 0.83 KCNH2 (0.71) LRRK2ATRKCNH2
SCHEMBL2933163 0.83 BRD9 (0.51) LRRK2MTORCCNE1CDK2GSK3A
SCHEMBL2932858 0.78 KCNH2 (0.58) LRRK2ATRKCNH2PIK3CAALOX5AP
SCHEMBL2931478 0.77 KCNH2 (0.56) ATRKCNH2MTORPIK3CAMET
SCHEMBL13515284 0.77 KCNH2 (0.56) LRRK2ATRKCNH2MTORPIK3CA
SCHEMBL2928695 0.77 KCNH2 (0.55) LRRK2ATRKCNH2ALOX5APFEN1
SCHEMBL2927685 0.75 ATR (0.51) ATRMTORPIK3CAMET

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 LRRK2 309/4885ATR 556/4885KCNH2 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.