SCHEMBL4144774

SCHEMBL4144774

N#Cc1cc(F)c2c(c1)c(/C=C/c1cccnc1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP3A4 P08684 2/20 0.36
CYP3A5 P20815 2/20 0.36
CHEK1 O14757 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
PRKDC P78527 1/20 0.32
NTSR1 P30989 1/20 0.31
ALOX5 P09917 2/20 0.31
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31
RORC P51449 1/20 0.30
TBXAS1 P24557 1/20 0.30

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
SCHEMBL4144779 1.00 CYP11B1 (0.38) CYP11B1CYP11B2CYP3A4CYP3A5CHEK1
SCHEMBL4145854 0.83 NTSR1 (0.42) CYP11B1CYP11B2CYP3A4NFE2L2MEN1
SCHEMBL4145851 0.83 NTSR1 (0.42) CYP11B1CYP11B2CYP3A4NFE2L2MEN1
SCHEMBL13927668 0.83 CYP11B1 (0.38) CYP11B1CYP11B2CYP3A4CYP3A5IDO1
SCHEMBL4144475 0.76 RAB9A (0.39) RAB9ARORC
SCHEMBL4140920 0.75 CYP11B1 (0.40) CYP11B1CYP11B2CHEK1IDO1TDO2
SCHEMBL4140916 0.75 CYP11B1 (0.40) CYP11B1CYP11B2CHEK1IDO1TDO2
SCHEMBL4140737 0.74 EGLN2 (0.31)
SCHEMBL4140214 0.74 EGLN2 (0.31)
SCHEMBL27604848 0.74 CYP11B2 (0.49) CYP11B1CYP11B2CYP3A4CHEK1TDO2

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 6 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
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN 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 CYP11B1 124/4885CYP11B2 106/4885CYP3A4 588/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CYP11B1 138/4885CYP11B2 121/4885CYP3A4 1005/4885

“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.