SCHEMBL4142170

SCHEMBL4142170

NC(=O)n1nc(C=Cc2ccccc2F)c2c[c]c(F)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.36
KDM4E B2RXH2 1/20 0.34
GRM4 Q14833 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
CHEK1 O14757 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCNA2 P20248 1/20 0.32
CCND1 P24385 1/20 0.32
CDK2 P24941 1/20 0.32
CCND3 P30281 1/20 0.32
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
GRIN3A Q8TCU5 2/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL4142168 1.00 NFE2L2 (0.36) NFE2L2KDM4EGRM4TP53MAPT
SCHEMBL4150611 0.83 HCAR2 (0.35) KDM4EGRM4TP53MAPTLMNA
SCHEMBL4150614 0.83 HCAR2 (0.35) KDM4EGRM4TP53MAPTLMNA
SCHEMBL4141007 0.82 NFE2L2 (0.33) NFE2L2GRIN1GRIN2BCYP1A1CYP1B1
SCHEMBL4141011 0.82 NFE2L2 (0.33) NFE2L2GRIN1GRIN2BCYP1A1CYP1B1
SCHEMBL4136580 0.82 ENPP2 (0.39) NFE2L2KDM4EGRM4TP53MAPT
SCHEMBL4149158 0.82 RELA (0.35) KDM4ECHEK1LMNAKMT2ANPC1
SCHEMBL4149161 0.82 RELA (0.35) KDM4ECHEK1LMNAKMT2ANPC1
SCHEMBL4157698 0.81 NFE2L2 (0.39) NFE2L2KDM4EGRM4MAPTCHEK1
SCHEMBL4157693 0.81 NFE2L2 (0.39) NFE2L2KDM4EGRM4MAPTCHEK1

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 434/4885KDM4E 2622/4885GRM4 1775/4885

“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.