SCHEMBL4137178

SCHEMBL4137178

CNCc1n[nH]c(-c2ccc3[nH]nc(-c4cccc(F)c4)c3n2)n1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 17/20 0.47
DYRK1A Q13627 16/20 0.47
CLK3 P49761 15/20 0.47
MAP4K1 Q92918 2/20 0.43
NTRK1 P04629 1/20 0.41

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
SCHEMBL4145340 0.82 CLK2 (0.52) CLK2DYRK1ACLK3MAP4K1
SCHEMBL14075015 0.81 CLK2 (0.45) CLK2DYRK1ACLK3MAP4K1NTRK1
SCHEMBL14075012 0.73 CLK2 (0.49) CLK2DYRK1ACLK3MAP4K1
SCHEMBL4149447 0.71 CLK2 (0.47) CLK2DYRK1ACLK3MAP4K1NTRK1
SCHEMBL4143612 0.71 CLK2 (0.47) CLK2DYRK1ACLK3MAP4K1NTRK1
SCHEMBL4146193 0.71 CLK2 (0.50) CLK2DYRK1ACLK3MAP4K1NTRK1
SCHEMBL4151622 0.70 DYRK1A (0.55) CLK2DYRK1ACLK3MAP4K1NTRK1
SCHEMBL4145506 0.70 CLK2 (0.45) CLK2DYRK1ACLK3MAP4K1
SCHEMBL4146121 0.69 CLK2 (0.46) CLK2DYRK1ACLK3MAP4K1NTRK1
SCHEMBL4149829 0.68 ADORA3 (0.57) CLK2DYRK1ACLK3MAP4K1

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 CLK2 125/4885DYRK1A 228/4885CLK3 141/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CLK2 133/4885DYRK1A 258/4885CLK3 139/4885

“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.