SCHEMBL6765766

SCHEMBL6765766

COc1ccncc1-c1cc(C#N)c(N)nc1-c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.43
FYN P06241 2/20 0.43
SCN9A Q15858 3/20 0.42
KDM4E B2RXH2 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
CHUK O15111 1/20 0.41
PDE4B Q07343 3/20 0.40
RXFP1 Q9HBX9 1/20 0.39
GLA P06280 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
SQOR Q9Y6N5 1/20 0.39

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
SCHEMBL6770611 0.82 KDM4E (0.48) FYNKDM4ENPSR1NPC1ADORA2A
SCHEMBL6765596 0.81 ADORA1 (0.49) KDM4ENPSR1ADORA2AADORA2BADORA1
SCHEMBL3835289 0.79 ADORA2A (0.45) KDM4ENPSR1NPC1ADORA2AADORA2B
SCHEMBL6769016 0.77 KDM4E (0.43) FYNKDM4ENPSR1NPC1ADORA2A
SCHEMBL27876161 0.77 PDE4B (0.56) PRKCQFYNPDE4BPDGFRBPDGFRA
SCHEMBL5480727 0.72 ADORA2A (0.54) KDM4EADORA2AADORA2BADORA1RXFP1
SCHEMBL3836360 0.69 ADORA2B (0.45) KDM4EADORA2AADORA2BADORA1CHUK
SCHEMBL4052370 0.69 ADORA2A (0.47) KDM4EADORA2AADORA2BADORA1CHUK
SCHEMBL3840117 0.69 CHUK (0.51) KDM4ENPSR1ADORA2AADORA2BADORA1
SCHEMBL3841687 0.69 SQOR (0.47) KDM4EADORA2AADORA2BADORA1CHUK

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-6750232-B2 ADENOSINE ANTAGONIST; AN IMPORTANT REGULATORY FACTOR INVOLVED IN VARIOUS INTRACELLULAR METABOLISMS SUCH AS REGULATION OF ENERGY LEVELS EISAI CO., LTD. (JP) 2004-06-15 US disclosed
US-20040006082-A1 2-Aminopyridine compounds and use thereof as drugs EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-01-08 US disclosed
EP-1308441-A1 2-AMINOPYRIDINE COMPOUNDS AND USE THEREOF AS DRUGS Eisai Co., Ltd. (JP) 2003-05-07 EP 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-20040006082-A1 2-Aminopyridine compounds and use thereof as drugs ADORA1, ADORA2B, ADORA2A PRKCQ 1903/4885FYN 2755/4885SCN9A 543/4885

“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.