SCHEMBL4139399

SCHEMBL4139399

Fc1cccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3cnccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
MAPK13 O15264 1/20 0.39
RAF1 P04049 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
PTGER1 P34995 2/20 0.39
ADORA2A P29274 2/20 0.37
TDO2 P48775 1/20 0.37
ALDH1A1 P00352 2/20 0.35
FYN P06241 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 3/20 0.34
MAPK1 P28482 2/20 0.34
USP2 O75604 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34

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
SCHEMBL4136387 0.91 CSNK2A2 (0.41) CSNK2A2CSNK2BMAPK13RAF1MAPK12
SCHEMBL2860001 0.79 ADORA2A (0.42) PTGER1ADORA2AALDH1A1LMNANPSR1
SCHEMBL4148986 0.78 PTGER1 (0.37) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL2872658 0.78 ADORA2A (0.41) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL13927627 0.77 NAMPT (0.43) CSNK2A2CSNK2BMAPK13RAF1MAPK12
SCHEMBL4140254 0.77 PDE4A (0.39) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL2861890 0.76 PTGER1 (0.37) PTGER1ADORA2AALDH1A1LMNANPSR1
SCHEMBL2861558 0.76 PTGER1 (0.39) PTGER1ADORA2AALDH1A1FYNLMNA
SCHEMBL27536115 0.76 ALDH1A1 (0.41) MAPK13MAPK12MAPK11MAPK14PTGER1
SCHEMBL4151644 0.75 ADORA2B (0.40) MAPK13RAF1MAPK12MAPK11MAPK14

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 CSNK2A2 6/4885CSNK2B 3/4885MAPK13 24/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CSNK2A2 10/4885CSNK2B 3/4885MAPK13 23/4885

“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.