SCHEMBL6804271

SCHEMBL6804271

CC(C)(O)c1cccc(C#N)c1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
AR P10275 11/20 0.40
PDK2 Q15119 2/20 0.39
PDK1 Q15118 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
NOTUM Q6P988 1/20 0.38
TSHR P16473 1/20 0.36
HSD11B1 P28845 1/20 0.36
MCL1 Q07820 1/20 0.36
SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL19532870 0.85 CA2 (0.40) GABRA1ARPDK2PDK1PDK3
SCHEMBL25814826 0.81 TSHR (0.36) ARPDK2PDK1PDK3PDK4
SCHEMBL9034853 0.80 TSHR (0.46) ARPDK2PDK1PDK3PDK4
SCHEMBL30619339 0.80 TSHR (0.46) ARPDK2PDK1PDK3PDK4
SCHEMBL2003310 0.79 AR (0.46) ARSLC22A12
SCHEMBL1533157 0.75 TSHR (0.46) PDK2NOTUMTSHRMCL1
SCHEMBL27176564 0.74 NOTUM (0.41) ARPDK2PDK1PDK3PDK4
SCHEMBL30708060 0.74 NOTUM (0.41) ARPDK2PDK1PDK3PDK4
SCHEMBL1064239 0.72 ALDH1A1 (0.46) GABRA1TSHRHSD11B1
SCHEMBL23412139 0.71 CA2 (0.37) GABRA1PDK2PDK1PDK3PDK4

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-6740655-B2 3',5'-CYCLIC NUCLEOTIDE PHOSPHODIESTERASE 4-SPECIFIC INHIBITORS REDUCE EOSINOPHIL INFLUX TO THE LUNGS; SIDE EFFECT REDUCTION; ANTIINFLAMMATORY AGENT; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS, ESPECIALLY ASTHMA PFIZER INC 2004-05-25 US disclosed
US-20030144300-A1 Pyrimidine carboxamides useful as inhibitors of pde4 isozymes PFIZER PRODUCTS INC. 2003-07-31 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-20030144300-A1 Pyrimidine carboxamides useful as inhibitors of pde4 isozymes PDE12, PDE4A, PDE4B GABRA1 2901/4885GABRG2 3716/4885GABRB3 2872/4885

“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.