SCHEMBL4144877

SCHEMBL4144877

CCOC(=O)c1ccc2[nH]nc(C=Cc3ccncc3)c2c1OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 3/20 0.38
JAK3 P52333 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 3/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
SRC P12931 1/20 0.36
TSHR P16473 1/20 0.35
CLK1 P49759 1/20 0.35
UBE2N P61088 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SNCA P37840 1/20 0.35
TTK P33981 1/20 0.35
CASP1 P29466 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4144873 1.00 SMN1; SMN2 (0.41) SMN1; SMN2MAPTJAK3KDM4EALDH1A1
SCHEMBL4137689 0.90 AURKA (0.45) SMN1; SMN2MAPTJAK3KDM4EALDH1A1
SCHEMBL4137691 0.90 AURKA (0.45) SMN1; SMN2MAPTJAK3KDM4EALDH1A1
SCHEMBL13927745 0.89 LMNA (0.39) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL4141139 0.88 ALDH1A1 (0.37) MAPTJAK3KDM4EALDH1A1HPGD
SCHEMBL4141145 0.88 ALDH1A1 (0.37) MAPTJAK3KDM4EALDH1A1HPGD
SCHEMBL4140478 0.86 CHEK1 (0.38) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL4140474 0.86 CHEK1 (0.38) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL4140268 0.85 TUBB4A (0.41) KDM4EALDH1A1HPGDTSHR
SCHEMBL4140260 0.85 TUBB4A (0.41) KDM4EALDH1A1HPGDTSHR

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 SMN1; SMN2 3886/4885MAPT 2811/4885JAK3 259/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B SMN1; SMN2 3772/4885MAPT 3014/4885JAK3 282/4885

“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.