SCHEMBL6769016

SCHEMBL6769016

COc1ccncc1-c1c(-c2cccc(F)c2)nc(N)c(C#N)c1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.43
NPSR1 Q6W5P4 3/20 0.43
NPC1 O15118 1/20 0.43
PIK3CD O00329 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
GLA P06280 2/20 0.41
ADORA1 P30542 4/20 0.41
ADORA2A P29274 3/20 0.41
ADORA2B P29275 1/20 0.41
MAPT P10636 2/20 0.40
FYN P06241 1/20 0.40
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
SQOR Q9Y6N5 1/20 0.38
PIP4K2A P48426 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37

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 0.87 KDM4E (0.48) KDM4ENPSR1NPC1PIK3CDRXFP1
SCHEMBL3835044 0.81 ADORA2A (0.45) KDM4ENPSR1NPC1RXFP1GLA
SCHEMBL6765766 0.77 PRKCQ (0.43) KDM4ENPSR1NPC1RXFP1GLA
SCHEMBL27876161 0.71 PDE4B (0.56) FYN
SCHEMBL27594616 0.67 ADORA1 (0.49) KDM4ENPSR1GLAADORA1ADORA2A
SCHEMBL6251515 0.65 KDM4E (0.60) KDM4ENPSR1RXFP1GLAADORA1
SCHEMBL3456079 0.65 ADORA2A (0.44) KDM4EPIK3CDADORA1ADORA2AADORA2B
SCHEMBL6251511 0.64 ADORA1 (0.64) KDM4ENPSR1RXFP1GLAADORA1
SCHEMBL6253677 0.63 ADORA2A (0.76) KDM4ENPSR1RXFP1GLAADORA1
SCHEMBL6765596 0.62 ADORA1 (0.49) KDM4ENPSR1RXFP1ADORA1ADORA2A

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 KDM4E 768/4885NPSR1 317/4885NPC1 2681/4885

“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.