SCHEMBL4152761

SCHEMBL4152761

CC(C)(O)c1nnc(-c2cc(F)c3[nH]nc(C=Cc4ccc(F)cc4)c3c2)[nH]1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHEK1 O14757 1/20 0.31

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
SCHEMBL4152755 1.00 PTGS1 (0.32) PTGS1PTGS2KDM4EMEN1ALDH1A1
SCHEMBL4143948 0.91 KDM4E (0.32) PTGS1PTGS2KDM4EMEN1ALDH1A1
SCHEMBL4143944 0.91 KDM4E (0.32) PTGS1PTGS2KDM4EMEN1ALDH1A1
SCHEMBL4146375 0.84 KDM4E (0.34) PTGS1PTGS2KDM4EMEN1ALDH1A1
SCHEMBL4159252 0.84 CHEK1 (0.34) PTGS1PTGS2KDM4EMEN1ALDH1A1
SCHEMBL4146371 0.84 KDM4E (0.34) PTGS1PTGS2KDM4EMEN1ALDH1A1
SCHEMBL4159254 0.84 CHEK1 (0.34) PTGS1PTGS2KDM4EMEN1ALDH1A1
SCHEMBL4146657 0.83 KDM4E (0.35) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL4146661 0.83 KDM4E (0.35) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL4149537 0.82 KDM4E (0.33) PTGS1KDM4EMEN1ALDH1A1GLA

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 PTGS1 1815/4885PTGS2 1583/4885KDM4E 2622/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B PTGS1 2035/4885PTGS2 1873/4885KDM4E 2795/4885

“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.