SCHEMBL4144451

SCHEMBL4144451

Fc1cccc(-c2n[nH]c3cnccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 5/20 0.53
WNT1 P04628 4/20 0.49
TGFBR1 P36897 2/20 0.49
CLK2 P49760 1/20 0.49
CLK3 P49761 1/20 0.49
DYRK1A Q13627 1/20 0.49
MAP2K7 O14733 1/20 0.49
IDO1 P14902 1/20 0.49
LRRK2 Q5S007 1/20 0.49
PIM1 P11309 4/20 0.48
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
TDO2 P48775 1/20 0.47
AXL P30530 1/20 0.47
NTRK1 P04629 1/20 0.46

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
SCHEMBL4153296 0.88 CLK2 (0.52) MAP2K4WNT1TGFBR1CLK2CLK3
SCHEMBL2860957 0.81 AURKA (0.66) MAP2K4MAP2K7IDO1LRRK2TDO2
SCHEMBL26704819 0.80 IDO1 (0.63) MAP2K4CLK2DYRK1AIDO1LRRK2
SCHEMBL2860721 0.76 AXL (0.61) MAP2K4MAP2K7AXL
SCHEMBL14516332 0.76 AURKA (0.59) MAP2K4CLK2CLK3DYRK1ATDO2
SCHEMBL2859865 0.75 MAP2K4 (0.51) MAP2K4CLK2CLK3DYRK1AMAP2K7
SCHEMBL2857938 0.74 MAP2K4 (0.50) MAP2K4CLK2CLK3DYRK1AMAP2K7
SCHEMBL4137939 0.73 GRM4 (0.57) MAP2K4WNT1TGFBR1CLK2CLK3
SCHEMBL2865225 0.72 MAP2K4 (0.59) MAP2K4MAP2K7
SCHEMBL2864778 0.72 ITK (0.54) MAP2K4LRRK2NTRK1

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 MAP2K4 48/4885WNT1 366/4885TGFBR1 994/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAP2K4 54/4885WNT1 255/4885TGFBR1 1040/4885

“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.