SCHEMBL4144764

SCHEMBL4144764

NC(=O)n1nc(C=Cc2ccccc2)c2c[c]cc(F)c21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.33
ALPL P05186 1/20 0.33
XIAP P98170 1/20 0.33
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
P2RX3 P56373 1/20 0.32
GRM4 Q14833 2/20 0.32
NFE2L2 Q16236 3/20 0.31
KDR P35968 3/20 0.31
CHEK1 O14757 1/20 0.31
EGFR P00533 2/20 0.31
MCL1 Q07820 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
CYP2C19 P33261 1/20 0.31
BCHE P06276 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4144758 1.00 ENPP3 (0.33) ENPP3ALPLXIAPHTTLMNA
SCHEMBL4139804 0.91 ENPP2 (0.36) LMNANFE2L2L3MBTL1
SCHEMBL4139807 0.91 ENPP2 (0.36) LMNANFE2L2L3MBTL1
SCHEMBL4145361 0.89 JUN (0.33)
SCHEMBL4145363 0.89 JUN (0.33)
SCHEMBL4149526 0.89 NFE2L2 (0.39) GRM4NFE2L2CHEK1L3MBTL1
SCHEMBL4136199 0.88 MAPT (0.39) NFE2L2L3MBTL1
SCHEMBL4137387 0.83 HCAR2 (0.35) HTTLMNA
SCHEMBL2864469 0.70 SRC (0.42) KDREGFRBCHE
SCHEMBL4157693 0.66 NFE2L2 (0.39) GRM4NFE2L2CHEK1L3MBTL1

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 3 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-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 ENPP3 4309/4885ALPL 3224/4885XIAP 2791/4885

“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.