SCHEMBL3494561

SCHEMBL3494561

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
TGM1 P22735 1/20 0.46
WNT3A P56704 2/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
JAK2 O60674 4/20 0.42
JAK1 P23458 4/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
MMP13 P45452 1/20 0.40
ADAM17 P78536 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
SCHEMBL3492228 0.89 F13A1 (0.46) F13A1TGM2TGM1WNT3ARAB9A
SCHEMBL3493778 0.89 JAK2 (0.53) F13A1TGM2TGM1WNT3AJAK2
SCHEMBL3493368 0.87 MAPT (0.46) F13A1TGM2TGM1MAPTJAK2
SCHEMBL3492076 0.85 JAK2 (0.53) F13A1TGM2TGM1ALDH1A1JAK2
SCHEMBL4438985 0.85 RAB9A (0.47) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL14155616 0.84 F13A1 (0.46) F13A1TGM2TGM1WNT3AMAPT
SCHEMBL3494595 0.81 WNT3A (0.45) F13A1TGM2TGM1WNT3AMAPT
SCHEMBL3494176 0.79 SYK (0.52) MAPTJAK2JAK1GPR119
SCHEMBL3492907 0.79 JAK2 (0.47) F13A1TGM2TGM1MAPTJAK2
SCHEMBL2779131 0.78 STS (0.49) F13A1TGM2TGM1MAPTMEN1

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 5 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

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 F13A1 2517/4885TGM2 821/4885TGM1 417/4885

“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.