SCHEMBL4137689

SCHEMBL4137689

CCOC(=O)c1ccc2[nH]nc(/C=C/c3ccc(OC)cc3)c2c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.45
MAPT P10636 5/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 6/20 0.41
LMNA P02545 4/20 0.41
GAA P10253 3/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 5/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPK10 P53779 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL4137691 1.00 AURKA (0.45) AURKAMAPTNPC1RAB9AL3MBTL1
SCHEMBL13927745 0.91 LMNA (0.39) AURKAMAPTNPC1RAB9AL3MBTL1
SCHEMBL4141139 0.90 ALDH1A1 (0.37) AURKAMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL4141145 0.90 ALDH1A1 (0.37) AURKAMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL4144873 0.90 SMN1; SMN2 (0.41) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL4144877 0.90 SMN1; SMN2 (0.41) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL4140268 0.87 TUBB4A (0.41) AURKAALDH1A1KDM4EGAAPOLB
SCHEMBL4149953 0.87 CHEK1 (0.46) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL4140260 0.87 TUBB4A (0.41) AURKAALDH1A1KDM4EGAAPOLB
SCHEMBL4149958 0.87 CHEK1 (0.46) MAPTALDH1A1KDM4ELMNAPOLB

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-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-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 AURKA 726/4885MAPT 2811/4885NPC1 3183/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B AURKA 710/4885MAPT 3014/4885NPC1 3703/4885

“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.