SCHEMBL3118699

SCHEMBL3118699

COc1ccc2ncc(F)c(-c3ccncc3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.48
RAF1 P04049 5/20 0.48
MAPK14 Q16539 3/20 0.46
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
PDGFRB P09619 3/20 0.42
PDGFRA P16234 3/20 0.42
CYP19A1 P11511 1/20 0.39
CLK1 P49759 2/20 0.39
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
GAK O14976 1/20 0.37
RPS6KA3 P51812 1/20 0.37
MAPK1 P28482 1/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL3114705 0.79 PDE4A (0.35) DYRK1ARAF1
SCHEMBL3121332 0.78 MAP4K4 (0.41) DYRK1AMAPK14PDGFRBPDGFRACLK2
SCHEMBL18544272 0.76 KCNH2 (0.39) KCNH2
SCHEMBL14126236 0.76 KCNH2 (0.39) KCNH2
SCHEMBL14905509 0.75 DYRK1A (0.44) DYRK1ARAF1PDGFRBPDGFRACYP19A1
SCHEMBL4502318 0.75 KCNH2 (0.43) KCNH2
SCHEMBL3379185 0.75 MAP4K4 (0.41) MAPK1KCNH2
SCHEMBL3618066 0.75 KCNH2 (0.39) KCNH2
SCHEMBL29692876 0.75 ERN1 (0.44) PDGFRBPDGFRARPS6KA3KCNH2
SCHEMBL2490082 0.75 ERN1 (0.44) PDGFRBPDGFRARPS6KA3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179143-A1 NAPHTHYRIDINE, DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
EP-2154965-A1 NAPHTHYRIDINE, DERIVATIVES AS P13 KINASE INHIBITORS Glaxosmithkline LLC (US) 2010-02-24 EP disclosed
WO-2008150827-A1 NAPHTHYRIDINE, DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 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-20100179143-A1 NAPHTHYRIDINE, DERIVATIVES AS P13 KINASE INHIBITORS INPP5D, PI4KA, PTEN DYRK1A 2236/4885RAF1 953/4885MAPK14 403/4885

“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.