SCHEMBL4144475

SCHEMBL4144475

CC(C)(C)OC(=O)Nc1cc(F)c2c(c1)c(C=Cc1cccnc1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
NAMPT P43490 11/20 0.38
BCL2 P10415 1/20 0.37
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
HTT P42858 1/20 0.34
DGAT1 O75907 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
SYK P43405 1/20 0.33
RORC P51449 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
SCHEMBL4144469 1.00 RAB9A (0.39) RAB9ANAMPTBCL2MAPK13MAPK12
SCHEMBL13927671 0.87 RAB9A (0.44) RAB9ANAMPTBCL2SYK
SCHEMBL27623655 0.81 PADI4 (0.36) RAB9ARORC
SCHEMBL4145854 0.81 NTSR1 (0.42) RAB9A
SCHEMBL4145851 0.81 NTSR1 (0.42) RAB9A
SCHEMBL27623654 0.79 NTSR1 (0.33) NAMPTRORC
SCHEMBL4144774 0.76 CYP11B1 (0.38) RAB9ARORC
SCHEMBL4144779 0.76 CYP11B1 (0.38) RAB9ARORC
SCHEMBL4144371 0.74 NTSR1 (0.37) RAB9ANAMPT
SCHEMBL27604940 0.72 NTSR1 (0.35) RAB9ANAMPTRORC

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 RAB9A 1606/4885NAMPT 3317/4885BCL2 416/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B RAB9A 1726/4885NAMPT 3451/4885BCL2 311/4885

“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.