SCHEMBL3494555

SCHEMBL3494555

CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.40
JAK1 P23458 8/20 0.40
GPR119 Q8TDV5 3/20 0.40
TGM2 P21980 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39
IDH1 O75874 1/20 0.37
IDH2 P48735 1/20 0.37
USP30 Q70CQ3 2/20 0.37
VNN1 O95497 1/20 0.37
RET P07949 2/20 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
SCHEMBL3493128 0.87 USP30 (0.39) JAK2USP30VNN1
SCHEMBL3492862 0.87 NR1H2 (0.39) JAK2JAK1GPR119TGM2MMP13
SCHEMBL3490744 0.83 MMP13 (0.42) JAK2JAK1GPR119TGM2MMP13
SCHEMBL3492907 0.81 JAK2 (0.47) JAK2JAK1TGM2MMP13ADAM17
SCHEMBL3494553 0.79 NAMPT (0.44) JAK2JAK1MMP13ADAM17
SCHEMBL22719293 0.76 MGLL (0.43) JAK2JAK1GPR119MMP13ADAM17
SCHEMBL27196781 0.73 SYK (0.45) GPR119TGM2IDH1IDH2
SCHEMBL3493368 0.73 MAPT (0.46) JAK2JAK1GPR119TGM2
SCHEMBL30328592 0.72 GPR119 (0.50) GPR119
SCHEMBL26081086 0.72 IDH1 (0.43) GPR119TGM2IDH1IDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 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-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY GRK2, GNAO1, PTGER1 JAK2 66/4885JAK1 93/4885GPR119 570/4885

“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.