SCHEMBL4136211

SCHEMBL4136211

CNC(N)=O.O=C(O)c1ccc2[nH]nc(-c3cccc(F)c3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 4/20 0.45
MAP4K1 Q92918 3/20 0.42
CLK2 P49760 7/20 0.42
CLK3 P49761 6/20 0.42
DYRK1A Q13627 6/20 0.42
HCAR2 Q8TDS4 1/20 0.39
KMO O15229 1/20 0.39
DHODH Q02127 1/20 0.38
MAP2K7 O14733 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPKAPK3 Q16644 1/20 0.38
MAPK6 Q16659 1/20 0.38
NTRK1 P04629 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
SCHEMBL4149599 0.91 MAP2K4 (0.52) MAP2K4MAP4K1CLK2CLK3DYRK1A
SCHEMBL4146121 0.83 CLK2 (0.46) MAP2K4MAP4K1CLK2CLK3DYRK1A
SCHEMBL5032419 0.81 SCN9A (0.46) MAP2K4MAP4K1CLK2CLK3DYRK1A
SCHEMBL27623648 0.80 CLK2 (0.45) MAP2K4MAP4K1CLK2CLK3DYRK1A
SCHEMBL4136209 0.80 EGLN1 (0.41) MAP2K4MAP4K1CLK2CLK3DYRK1A
SCHEMBL5031128 0.78 SCN9A (0.48) MAP2K4CLK2CLK3DYRK1A
SCHEMBL13927643 0.77 MAP4K4 (0.46) MAP2K4MAP4K1CLK2CLK3DYRK1A
SCHEMBL5029950 0.77 SCN9A (0.44)
SCHEMBL4149434 0.77 DYRK1A (0.52) MAP2K4CLK2CLK3DYRK1A
SCHEMBL4149829 0.76 ADORA3 (0.57) MAP2K4MAP4K1CLK2CLK3DYRK1A

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 MAP2K4 48/4885MAP4K1 79/4885CLK2 125/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAP2K4 54/4885MAP4K1 74/4885CLK2 133/4885

“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.