SCHEMBL4153422

SCHEMBL4153422

O=C(O)c1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.70
CDK2 P24941 4/20 0.70
CCNA2 P20248 1/20 0.70
CCNA1 P78396 1/20 0.70
JAK2 O60674 2/20 0.70
JAK1 P23458 2/20 0.70
CSNK2A1 P68400 4/20 0.58
DYRK3 O43781 1/20 0.58
MAP4K4 O95819 1/20 0.58
CDK1 P06493 1/20 0.58
MARK3 P27448 1/20 0.58
CLK2 P49760 1/20 0.58
GSK3B P49841 1/20 0.58
CSNK1G2 P78368 1/20 0.58
CDK5 Q00535 1/20 0.58
MAP4K2 Q12851 1/20 0.58
PRKAA1 Q13131 1/20 0.58
CAMK2B Q13554 1/20 0.58
CAMK2G Q13555 1/20 0.58
CAMK2D Q13557 1/20 0.58

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
SCHEMBL18932061 0.87 JAK2 (0.60) FLT3CDK2CCNA2CCNA1JAK2
SCHEMBL4007094 0.85 FLT3 (0.72) FLT3CDK2CCNA2CCNA1JAK2
SCHEMBL18828966 0.85 JAK2 (0.57) FLT3CDK2CCNA2CCNA1JAK2
SCHEMBL18812674 0.85 JAK2 (0.57) FLT3CDK2CCNA2CCNA1JAK2
SCHEMBL18812672 0.85 JAK2 (0.57) FLT3CDK2CCNA2CCNA1JAK2
SCHEMBL4530485 0.84 FLT3 (0.75) FLT3CDK2CCNA2CCNA1CSNK2A1
SCHEMBL5945798 0.84 FLT3 (0.70) FLT3CDK2CCNA2CCNA1JAK2
SCHEMBL5945795 0.84 FLT3 (0.71) FLT3CDK2CCNA2CCNA1JAK2
SCHEMBL30912934 0.84 FLT3 (0.70) FLT3CDK2CCNA2CCNA1JAK2
SCHEMBL5945718 0.84 FLT3 (0.70) FLT3CDK2CCNA2CCNA1JAK2

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 FLT3 815/4885CDK2 176/4885CCNA2 538/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B FLT3 702/4885CDK2 194/4885CCNA2 567/4885

“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.