SCHEMBL4136209

SCHEMBL4136209

NC(=O)CNC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.41
CLK2 P49760 6/20 0.41
DYRK1A Q13627 6/20 0.41
CLK3 P49761 5/20 0.41
MAP2K4 P45985 4/20 0.39
ICMT O60725 1/20 0.38
PIM1 P11309 1/20 0.38
MAP4K1 Q92918 2/20 0.38
MAP2K7 O14733 1/20 0.38
NTRK1 P04629 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
GSK3B P49841 1/20 0.36

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
SCHEMBL13927643 0.84 MAP4K4 (0.46) CLK2DYRK1ACLK3MAP2K4PIM1
SCHEMBL5031128 0.83 SCN9A (0.48) CLK2DYRK1ACLK3MAP2K4
SCHEMBL5032419 0.82 SCN9A (0.46) CLK2DYRK1ACLK3MAP2K4MAP4K1
SCHEMBL13927641 0.81 HPGD (0.52) ADORA2AADORA1
SCHEMBL13927651 0.81 ADORA2A (0.58) CLK2DYRK1ACLK3ADORA2AADORA1
SCHEMBL4149599 0.81 MAP2K4 (0.52) CLK2DYRK1ACLK3MAP2K4MAP4K1
SCHEMBL4149434 0.80 DYRK1A (0.52) CLK2DYRK1ACLK3MAP2K4PIM1
SCHEMBL4136211 0.80 MAP2K4 (0.45) CLK2DYRK1ACLK3MAP2K4MAP4K1
SCHEMBL4146121 0.80 CLK2 (0.46) CLK2DYRK1ACLK3MAP2K4MAP4K1
SCHEMBL5029950 0.80 SCN9A (0.44)

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 7 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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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 EGLN1 3422/4885CLK2 125/4885DYRK1A 228/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B EGLN1 3231/4885CLK2 133/4885DYRK1A 258/4885

“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.