SCHEMBL4153296

SCHEMBL4153296

Fc1cccc(-c2n[nH]c3ccncc23)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 3/20 0.52
CLK3 P49761 3/20 0.52
DYRK1A Q13627 3/20 0.52
NTRK1 P04629 2/20 0.49
MAP2K4 P45985 5/20 0.49
IDO1 P14902 1/20 0.49
LRRK2 Q5S007 1/20 0.49
MAPK13 O15264 1/20 0.47
RAF1 P04049 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
WNT1 P04628 5/20 0.47
TGFBR1 P36897 2/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MAP2K7 O14733 1/20 0.46
ACHE P22303 1/20 0.46
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45

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
SCHEMBL4144451 0.88 MAP2K4 (0.53) CLK2CLK3DYRK1ANTRK1MAP2K4
SCHEMBL9261867 0.82 CLK2 (0.56) CLK2CLK3DYRK1AMAP2K4IDO1
SCHEMBL1922154 0.81 MAPK14 (0.51) CLK2CLK3DYRK1ANTRK1MAP2K4
SCHEMBL2860957 0.81 AURKA (0.66) MAP2K4IDO1LRRK2MAP2K7
SCHEMBL1513103 0.80 IDO1 (0.63) CLK2CLK3DYRK1AMAP2K4IDO1
SCHEMBL14516332 0.79 AURKA (0.59) CLK2CLK3DYRK1ANTRK1MAP2K4
SCHEMBL9258940 0.77 MKNK1 (0.57) CLK2CLK3DYRK1ANTRK1MAP2K4
SCHEMBL6759015 0.75 TAAR1 (0.54) CLK2CLK3DYRK1ANTRK1MAP2K4
SCHEMBL2864778 0.75 ITK (0.54) NTRK1MAP2K4LRRK2
SCHEMBL2859865 0.75 MAP2K4 (0.51) CLK2CLK3DYRK1ANTRK1MAP2K4

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