SCHEMBL3493084

SCHEMBL3493084

O=C(O)N1CCC(CN=C(c2ccccc2)c2ccccc2)(C(=O)Nc2cc(C(F)(F)F)ccn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 1/20 0.43
PHGDH O43175 2/20 0.41
USP30 Q70CQ3 1/20 0.39
MAP3K12 Q12852 1/20 0.39
BTK Q06187 4/20 0.37
GPR52 Q9Y2T5 2/20 0.37
SYK P43405 3/20 0.37
MAPK14 Q16539 1/20 0.37
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 1/20 0.36
IDH2 P48735 1/20 0.36
NR3C2 P08235 1/20 0.36
CACNA1C Q13936 1/20 0.36
AURKA O14965 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
SCHEMBL4439317 0.89 RIOK2 (0.43) RIOK2PHGDHUSP30MAP3K12BTK
SCHEMBL3494231 0.89 SYK (0.47) RIOK2PHGDHUSP30MAP3K12SYK
SCHEMBL3491626 0.87 RIOK2 (0.44) RIOK2PHGDHUSP30BTKSYK
SCHEMBL3494465 0.83 PHGDH (0.44) RIOK2PHGDHUSP30MAP3K12BTK
SCHEMBL3493470 0.82 AKT2 (0.49)
SCHEMBL3494018 0.78 KMT2A (0.43) MAP3K12GAA
SCHEMBL3493858 0.75 USP30 (0.48) RIOK2PHGDHUSP30MAP3K12BTK
SCHEMBL3493446 0.70 SYK (0.54) RIOK2PHGDHUSP30SYKGAA
SCHEMBL1968503 0.69 ALOX15 (0.60) RIOK2BTKMAPK14AURKA
SCHEMBL3494267 0.68 HIF1A (0.47)

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-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
EP-2125820-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075110-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO 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 RIOK2 1174/4885PHGDH 1482/4885USP30 3989/4885

“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.