SCHEMBL2446828

SCHEMBL2446828

CCOC(=O)c1cnc(Cl)cc1NC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.42
NFKB1 P19838 6/20 0.42
ATF1 P18846 1/20 0.42
IRAK4 Q9NWZ3 2/20 0.41
TP53 P04637 1/20 0.40
JUN P05412 5/20 0.40
NFKB2 Q00653 5/20 0.40
RELA Q04206 5/20 0.40
FOS P01100 4/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE5A O76074 2/20 0.39
PDE6D O43924 1/20 0.39
PDE6A P16499 1/20 0.39
PDE6G P18545 1/20 0.39

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
SCHEMBL30064926 0.83 MAPT (0.42) KDM4EALDH1A1ALOX15NFKB1IRAK4
SCHEMBL22208073 0.83 MAPT (0.42) KDM4EALDH1A1ALOX15NFKB1IRAK4
SCHEMBL29374417 0.82 ALDH1A1 (0.46) KDM4EALDH1A1ALOX15NFKB1IRAK4
SCHEMBL22497793 0.82 ALDH1A1 (0.46) KDM4EALDH1A1ALOX15NFKB1IRAK4
SCHEMBL20330716 0.82 KDM4E (0.44) KDM4EALDH1A1ALOX15NFKB1ATF1
SCHEMBL30341786 0.81 ALDH1A1 (0.46) KDM4EALDH1A1ALOX15TP53MAPT
SCHEMBL502657 0.81 ALDH1A1 (0.46) KDM4EALDH1A1ALOX15TP53MAPT
SCHEMBL1521390 0.81 ALDH1A1 (0.43) KDM4EALDH1A1ALOX15IRAK4TP53
SCHEMBL16873158 0.81 KDM4E (0.43) KDM4EALDH1A1ALOX15NFKB1ATF1
SCHEMBL20892112 0.80 KDM4E (0.47) KDM4EALDH1A1ALOX15TP53MAPT

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-8575153-B2 Pyridine-3-carboxyamide derivative KOWA COMPANY, LTD. (JP) 2013-11-05 US disclosed
EP-2380877-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE Kowa Company, Ltd. (JP) 2011-10-26 EP disclosed
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE KOWA COMPANY, LTD. (JP) 2011-09-29 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-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE JAK3, JAK1, UACA KDM4E 1516/4885ALDH1A1 2676/4885ALOX15 879/4885

“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.