SCHEMBL4151692

SCHEMBL4151692

O=C(O)Cc1cnc2c(-c3cccc(F)c3)n[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.46
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 1/20 0.45
PTGDR2 Q9Y5Y4 8/20 0.45
TBXA2R P21731 1/20 0.45
PTGDR Q13258 1/20 0.45
GRK6 P43250 1/20 0.41
TRPA1 O75762 2/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
DYRK1A Q13627 1/20 0.40
MAPK1 P28482 1/20 0.39
WNT3A P56704 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL2861096 0.80 MAP2K4 (0.51) MAP2K4KDM4ESMN1; SMN2PTGDR2GRK6
SCHEMBL6223386 0.76 TRPA1 (0.49) MAP2K4KDM4ESMN1; SMN2RAB9APTGDR2
SCHEMBL27795015 0.74 HPGDS (0.52) KDM4ESMN1; SMN2PTGDR2TBXA2RPTGDR
SCHEMBL31716043 0.72 WNT3A (0.60) KDM4ESMN1; SMN2PTGDR2TBXA2RPTGDR
SCHEMBL4137939 0.72 GRM4 (0.57) MAP2K4CLK2CLK3DYRK1A
SCHEMBL4136010 0.71 PTGDR2 (0.42) KDM4ESMN1; SMN2PTGDR2TBXA2RPTGDR
SCHEMBL4149599 0.71 MAP2K4 (0.52) MAP2K4GRK6CLK2CLK3DYRK1A
SCHEMBL2857674 0.69 MAP2K4 (0.60) MAP2K4MAPK1
SCHEMBL13802492 0.69 GRIN2D (0.55) KDM4ESMN1; SMN2
SCHEMBL2864745 0.68 MAP2K4 (0.58) MAP2K4MAPK1

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 4 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

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 MAP2K4 48/4885KDM4E 2622/4885SMN1; SMN2 3886/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAP2K4 54/4885KDM4E 2795/4885SMN1; SMN2 3772/4885

“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.