SCHEMBL3489659

SCHEMBL3489659

CC(C)(C)OC(=O)NC1(c2nc3ccc(F)c(F)c3[nH]2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.38
JAK1 P23458 7/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC1 Q13547 1/20 0.38
PARP1 P09874 3/20 0.37
TNKS O95271 2/20 0.37
TNKS2 Q9H2K2 2/20 0.37
ACACB O00763 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
MAP4K4 O95819 1/20 0.36
KIT P10721 1/20 0.36
NAMPT P43490 2/20 0.35
CYP11B2 P19099 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
SCHEMBL3489463 0.89 JAK2 (0.40) JAK2JAK1HDAC2HDAC1PARP1
SCHEMBL3489912 0.85 JAK2 (0.40) JAK2JAK1HDAC2HDAC1PARP1
SCHEMBL3489360 0.84 JAK2 (0.42) JAK2JAK1PARP1ACACBKIT
SCHEMBL3489950 0.83 BACE1 (0.44) JAK2JAK1HDAC2HDAC1NAMPT
SCHEMBL3489548 0.83 NAMPT (0.38) JAK2JAK1HDAC2HDAC1PARP1
SCHEMBL3491957 0.81 SSTR4 (0.45) NAMPT
SCHEMBL3490376 0.81 BCHE (0.45) PARP1GPR119KITNAMPTCYP11B2
SCHEMBL3490328 0.80 BACE1 (0.44) ACACBNAMPT
SCHEMBL3489471 0.78 NAMPT (0.49) JAK2JAK1ACACBGPR119KIT
SCHEMBL3491078 0.77 STS (0.42) NAMPT

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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A JAK2 258/4885JAK1 284/4885HDAC2 1392/4885

“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.