SCHEMBL4159906

SCHEMBL4159906

CCOC(=O)c1ccc2[nH]nc(/C=C/c3ccc(F)c(OC)c3)c2c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
BACE1 P56817 2/20 0.40
MMP9 P14780 1/20 0.40
TUBB1 Q9H4B7 2/20 0.39
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
MCL1 Q07820 1/20 0.38
KDR P35968 2/20 0.38
CHEK1 O14757 1/20 0.38
LCK P06239 1/20 0.38
FGFR1 P11362 1/20 0.38
CDK4 P11802 1/20 0.38
CCNA2 P20248 1/20 0.38

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
SCHEMBL4159908 1.00 MEN1 (0.42) MEN1NPC1KMT2AATML3MBTL1
SCHEMBL4155836 0.93 TUBB1 (0.46) MEN1NPC1KMT2AATML3MBTL1
SCHEMBL4155832 0.93 TUBB1 (0.46) MEN1NPC1KMT2AATML3MBTL1
SCHEMBL4136174 0.93 NPC1 (0.38) MEN1NPC1KMT2AATML3MBTL1
SCHEMBL4136172 0.93 NPC1 (0.38) MEN1NPC1KMT2AATML3MBTL1
SCHEMBL4149953 0.92 CHEK1 (0.46) ALDH1A1KDM4EHPGDMMP9FNTA
SCHEMBL4149958 0.92 CHEK1 (0.46) ALDH1A1KDM4EHPGDMMP9FNTA
SCHEMBL5027604 0.90 NPC1 (0.36) MEN1NPC1KMT2AATML3MBTL1
SCHEMBL5027600 0.90 NPC1 (0.36) MEN1NPC1KMT2AATML3MBTL1
SCHEMBL4149543 0.88 TUBB1 (0.43) BACE1MMP9TUBB1MCL1KDR

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 MEN1 4415/4885NPC1 3183/4885KMT2A 810/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MEN1 4470/4885NPC1 3703/4885KMT2A 741/4885

“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.