SCHEMBL4153383

SCHEMBL4153383

NC(=O)n1nc(C=Cc2cccnc2)c2c[c]c(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
NTSR1 P30989 1/20 0.38
ALDH1A1 P00352 1/20 0.36
PTGS2 P35354 3/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ALOX5 P09917 2/20 0.35
PTGS1 P23219 2/20 0.35
PFKFB3 Q16875 1/20 0.34
CYP1A1 P04798 6/20 0.34
CYP1A2 P05177 6/20 0.34
CYP1B1 Q16678 6/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL4153379 1.00 MAPT (0.38) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL4157698 0.85 NFE2L2 (0.39) MAPTKDM4EALDH1A1PTGS2PTGS1
SCHEMBL4136580 0.84 ENPP2 (0.39) MAPTRAB9AKDM4ENPC1ALDH1A1
SCHEMBL4136578 0.84 ENPP2 (0.39) MAPTRAB9AKDM4ENPC1ALDH1A1
SCHEMBL4141007 0.82 NFE2L2 (0.33) PTGS2CYP1A1CYP1A2CYP1B1NFE2L2
SCHEMBL4142170 0.80 NFE2L2 (0.36) MAPTRAB9AKDM4ENPC1CYP1A1
SCHEMBL4150614 0.79 HCAR2 (0.35) MAPTRAB9AKDM4ENPC1ALDH1A1
SCHEMBL4150611 0.79 HCAR2 (0.35) MAPTRAB9AKDM4ENPC1ALDH1A1
SCHEMBL4136196 0.78 MAPT (0.39) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL4136199 0.78 MAPT (0.39) MAPTRAB9AKDM4ENPC1JUN

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 MAPT 2811/4885RAB9A 1606/4885KDM4E 2622/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAPT 3014/4885RAB9A 1726/4885KDM4E 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.