SCHEMBL4151644

SCHEMBL4151644

N#Cc1nccc2c(-c3cccc(F)c3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.40
ADORA1 P30542 2/20 0.40
ADORA2A P29274 2/20 0.40
TDO2 P48775 3/20 0.39
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
PTGER1 P34995 1/20 0.33
MAP4K4 O95819 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
MAPK13 O15264 1/20 0.32
RAF1 P04049 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
CHUK O15111 1/20 0.32
KMO O15229 1/20 0.32

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
SCHEMBL13927628 0.81 ADORA2B (0.42) ADORA2BADORA1ADORA2ATDO2NPSR1
SCHEMBL4139399 0.75 CSNK2A2 (0.41) ADORA2BADORA1ADORA2ATDO2NPSR1
SCHEMBL2857935 0.74 ADORA2A (0.41) ADORA2BADORA1ADORA2ATDO2NPSR1
SCHEMBL4136387 0.73 CSNK2A2 (0.41) ADORA2BADORA1ADORA2ATDO2NPSR1
SCHEMBL2857854 0.72 ALDH1A1 (0.35) ADORA2BADORA1ADORA2ANPSR1KDM4E
SCHEMBL2865946 0.72 ADORA2A (0.40) ADORA2BADORA1ADORA2ANPSR1ALDH1A1
SCHEMBL4139337 0.72 ADORA1 (0.43) ADORA2BADORA1ADORA2ANPSR1KDM4E
SCHEMBL2866398 0.72 PTGER1 (0.41) ADORA2ANPSR1ALDH1A1LMNAPTGER1
SCHEMBL4140254 0.71 PDE4A (0.39) ADORA2BADORA1ADORA2ATDO2KDM4E
SCHEMBL2860001 0.70 ADORA2A (0.42) ADORA2BADORA1ADORA2ANPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B ADORA2B 1361/4885ADORA1 1755/4885ADORA2A 1738/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B ADORA2B 1668/4885ADORA1 2201/4885ADORA2A 2046/4885

“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.