SCHEMBL5519244

SCHEMBL5519244

COc1cccc2nc(OCCCC(O)CO)c(C#N)c(-c3cccc(F)c3)c12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 6/20 0.41
ADORA1 P30542 2/20 0.40
KCNA5 P22460 3/20 0.40
KCNH2 Q12809 3/20 0.40
DHPS P49366 1/20 0.40
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL2169067 0.84 KCNA5 (0.50) SQORADORA1KCNA5KCNH2
SCHEMBL2168453 0.74 KCNA5 (0.58) SQORADORA1KCNA5KCNH2
SCHEMBL5519238 0.73 SQOR (0.39) SQOR
SCHEMBL1382542 0.70 KCNA5 (0.67) SQORADORA1KCNA5KCNH2DHPS
SCHEMBL6047739 0.70 KCNA5 (0.67) SQORADORA1KCNA5KCNH2DHPS
SCHEMBL3111674 0.70 KCNA5 (0.67) SQORADORA1KCNA5KCNH2DHPS
SCHEMBL2167818 0.68 KCNA5 (0.43) SQORADORA1KCNA5KCNH2
SCHEMBL3625695 0.67 KCNA5 (0.62) KCNA5KCNH2
SCHEMBL4342810 0.66 KCNA5 (0.52) SQORADORA1KCNA5KCNH2
SCHEMBL4342811 0.66 KCNA5 (0.52) SQORADORA1KCNA5KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043042-A1 Such as 2-(Allyloxy)-4-(3-fluorophenyl)-6-methoxyquinoline-3-carbonitrile; for treating cardiac arrhthymias MERCK & CO., INC. (US) 2007-02-22 US claimed

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-20070043042-A1 Such as 2-(Allyloxy)-4-(3-fluorophenyl)-6-methoxyquinoline-3-carbonitrile; for treating cardiac arrhthymias KCNH2, KCNJ2, KCNQ1 SQOR 259/4885ADORA1 1041/4885KCNA5 28/4885

“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.