SCHEMBL12775469

SCHEMBL12775469

CCOC(=O)c1cnc(C(F)(F)F)nc1C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
JUN P05412 7/20 0.57
NFKB1 P19838 7/20 0.57
NFKB2 Q00653 7/20 0.57
RELA Q04206 7/20 0.57
FOS P01100 5/20 0.57
L3MBTL1 Q9Y468 1/20 0.43
HSP90AA1 P07900 1/20 0.43
IDO1 P14902 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL8543216 0.92 KDM4E (0.72) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL21341724 0.90 KDM4E (0.55) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL5062196 0.89 KDM4E (0.69) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL423492 0.84 JUN (0.60) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL4425453 0.83 JUN (0.59) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL1013852 0.82 KDM4E (0.56) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL2354109 0.82 KDM4E (0.67) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL131646 0.82 NFKB1 (0.58) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL17393706 0.82 JUN (0.58) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL3283794 0.82 JUN (0.58) KDM4EJUNNFKB1NFKB2RELA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK KDM4E 3026/4885JUN 3892/4885NFKB1 838/4885

“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.