SCHEMBL4157693

SCHEMBL4157693

NC(=O)n1nc(/C=C/c2cccc(F)c2)c2c[c]c(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 8/20 0.39
PTGS1 P23219 3/20 0.36
PTGS2 P35354 1/20 0.36
GRM4 Q14833 1/20 0.36
NQO2 P16083 1/20 0.36
APP P05067 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
KMT2A Q03164 1/20 0.34
CHEK1 O14757 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNA2 P20248 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
CCND3 P30281 1/20 0.33

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
SCHEMBL4157698 1.00 NFE2L2 (0.39) NFE2L2PTGS1PTGS2GRM4NQO2
SCHEMBL4136580 0.88 ENPP2 (0.39) NFE2L2PTGS1PTGS2GRM4L3MBTL1
SCHEMBL4141011 0.86 NFE2L2 (0.33) NFE2L2PTGS2CYP1A1CYP1B1
SCHEMBL4141007 0.86 NFE2L2 (0.33) NFE2L2PTGS2CYP1A1CYP1B1
SCHEMBL4149158 0.85 RELA (0.35) PTGS1NQO2KDM4EMEN1ALDH1A1
SCHEMBL4153379 0.85 MAPT (0.38) NFE2L2PTGS1PTGS2GRM4KDM4E
SCHEMBL4142170 0.81 NFE2L2 (0.36) NFE2L2GRM4KDM4EMAPTKMT2A
SCHEMBL4146256 0.81 BACE1 (0.40) NFE2L2PTGS1PTGS2KDM4EMEN1
SCHEMBL4146253 0.81 BACE1 (0.40) NFE2L2PTGS1PTGS2KDM4EMEN1
SCHEMBL4152767 0.81 KDM4E (0.40) L3MBTL1KDM4EMEN1ALDH1A1MAPT

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 4 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-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 (1 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 NFE2L2 434/4885PTGS1 1815/4885PTGS2 1583/4885

“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.