SCHEMBL2925588

SCHEMBL2925588

Cc1cc(-c2cnc(N)c(-c3ccc(O)cc3)n2)ccc1C(=O)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.56
KCNH2 Q12809 2/20 0.55
ATR Q13535 7/20 0.53
JAK2 O60674 4/20 0.53
JAK1 P23458 4/20 0.53
TYK2 P29597 4/20 0.53
JAK3 P52333 4/20 0.53
PIK3CA P42336 2/20 0.47
MTOR P42345 2/20 0.47
NEK2 P51955 1/20 0.47
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
CHEK1 O14757 1/20 0.46

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
SCHEMBL13515284 0.89 KCNH2 (0.56) LRRK2KCNH2ATRJAK2JAK1
SCHEMBL2932840 0.88 LRRK2 (0.55) LRRK2KCNH2ATRPIK3CAMTOR
SCHEMBL2932693 0.86 KCNH2 (0.71) LRRK2KCNH2ATRCHEK1
SCHEMBL2928695 0.85 KCNH2 (0.55) LRRK2KCNH2ATRALOX5APFEN1
SCHEMBL2934913 0.84 ATR (0.67) LRRK2KCNH2ATRJAK2
Trifluoroacetic Acid SCHEMBL2931258 0.83 KCNH2 (0.57) KCNH2ATRJAK2JAK1TYK2
SCHEMBL16425221 0.81 KCNH2 (0.70) KCNH2ATRCHEK1
SCHEMBL2932858 0.80 KCNH2 (0.58) LRRK2KCNH2ATRPIK3CAALOX5AP
SCHEMBL2927320 0.80 CCNE2 (0.48) KCNH2PIK3CAALOX5APFEN1CHEK1
SCHEMBL2931478 0.79 KCNH2 (0.56) KCNH2ATRPIK3CAMTORCHEK1

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 4 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
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

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 309/4885KCNH2 1056/4885ATR 556/4885

“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.