SCHEMBL3494595

SCHEMBL3494595

Cc1ccc(NC(=O)C2(CN)CCN(C(=O)OC(C)(C)C)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.45
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
CTPS1 P17812 1/20 0.41
RAB9A P51151 1/20 0.41
NAMPT P43490 1/20 0.41
MMP13 P45452 1/20 0.41
ADAM17 P78536 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
CYP2C19 P33261 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL3493398 0.89 JAK2 (0.51) WNT3AF13A1TGM2TGM1CTPS1
SCHEMBL3492486 0.89 TDP1 (0.44) WNT3AF13A1TGM2TGM1MAPT
SCHEMBL3490987 0.87 MAPT (0.46) WNT3AF13A1TGM2TGM1MAPT
SCHEMBL14155616 0.86 F13A1 (0.46) WNT3AF13A1TGM2TGM1MAPT
SCHEMBL3490746 0.85 JAK2 (0.51) TSHRJAK2JAK1OPRD1OPRK1
SCHEMBL3494822 0.85 RAB9A (0.47) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL3492019 0.82 WNT3A (0.41) WNT3AF13A1TGM2TGM1MEN1
SCHEMBL3494561 0.81 F13A1 (0.46) WNT3AF13A1TGM2TGM1MAPT
SCHEMBL3493446 0.79 SYK (0.54) WNT3AMAPTJAK2JAK1HDAC1
SCHEMBL3493256 0.78 MMP13 (0.45) WNT3AF13A1TGM2TGM1MAPT

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 6 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
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
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
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 WNT3A 1257/4885F13A1 2517/4885TGM2 821/4885

“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.