SCHEMBL4151622

SCHEMBL4151622

COc1ccc2[nH]nc(-c3cccc(F)c3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.55
RAF1 P04049 1/20 0.55
CLK2 P49760 11/20 0.50
CLK3 P49761 9/20 0.50
NTRK1 P04629 1/20 0.48
PDE4B Q07343 1/20 0.45
MAP4K1 Q92918 2/20 0.43
MAP2K4 P45985 2/20 0.40
HTR7 P34969 1/20 0.40
ITK Q08881 1/20 0.40

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
SCHEMBL4146193 0.80 CLK2 (0.50) DYRK1ACLK2CLK3NTRK1MAP4K1
SCHEMBL4149447 0.80 CLK2 (0.47) DYRK1ACLK2CLK3NTRK1MAP4K1
SCHEMBL4143612 0.80 CLK2 (0.47) DYRK1ACLK2CLK3NTRK1MAP4K1
SCHEMBL4146121 0.77 CLK2 (0.46) DYRK1ACLK2CLK3NTRK1MAP4K1
SCHEMBL4145506 0.76 CLK2 (0.45) DYRK1ACLK2CLK3MAP4K1MAP2K4
SCHEMBL4137939 0.76 GRM4 (0.57) DYRK1ACLK2CLK3NTRK1MAP2K4
SCHEMBL4149599 0.75 MAP2K4 (0.52) DYRK1ACLK2CLK3MAP4K1MAP2K4
SCHEMBL4145340 0.75 CLK2 (0.52) DYRK1ACLK2CLK3MAP4K1
SCHEMBL14075012 0.75 CLK2 (0.49) DYRK1ACLK2CLK3MAP4K1
SCHEMBL4149829 0.74 ADORA3 (0.57) DYRK1ACLK2CLK3MAP4K1MAP2K4

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 9 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
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 DYRK1A 228/4885RAF1 81/4885CLK2 125/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B DYRK1A 258/4885RAF1 80/4885CLK2 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.