SCHEMBL3489463

SCHEMBL3489463

CC(C)(C)OC(=O)NC1(c2nc3cccc(F)c3[nH]2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.40
JAK1 P23458 5/20 0.40
PARP1 P09874 4/20 0.39
KIT P10721 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
ATM Q13315 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
IDH1 O75874 1/20 0.37
IDH2 P48735 1/20 0.37
CYP11B2 P19099 1/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
ACACB O00763 2/20 0.37
ATR Q13535 1/20 0.37
KDM1A O60341 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36

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
SCHEMBL3489360 0.90 JAK2 (0.42) JAK2JAK1PARP1KITCYP11B2
SCHEMBL3489659 0.89 JAK2 (0.38) JAK2JAK1PARP1KITHDAC1
SCHEMBL3489912 0.87 JAK2 (0.40) JAK2JAK1PARP1KITHDAC1
SCHEMBL3490376 0.84 BCHE (0.45) PARP1KITATMGPR119CYP11B2
SCHEMBL3489548 0.83 NAMPT (0.38) JAK2JAK1PARP1HDAC1HDAC2
SCHEMBL3489950 0.81 BACE1 (0.44) JAK2JAK1HDAC1HDAC2
SCHEMBL3488861 0.78 PARP1 (0.46) JAK2JAK1PARP1KITCYP11B2
SCHEMBL3490328 0.78 BACE1 (0.44) ACACB
SCHEMBL3489471 0.78 NAMPT (0.49) JAK2JAK1KITGPR119CYP11B2
SCHEMBL3490811 0.77 PARP1 (0.45) PARP1CYP11B2

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 284/4885PARP1 1729/4885

“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.