SCHEMBL3213874

SCHEMBL3213874

CC(C)(C)OC(=O)NC1CCCCN(c2c[nH]c3cccnc23)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.48
BTK Q06187 4/20 0.47
PDE10A Q9Y233 2/20 0.46
JAK3 P52333 3/20 0.45
AURKA O14965 3/20 0.44
PDPK1 O15530 3/20 0.44
AURKB Q96GD4 3/20 0.44
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
PARP1 P09874 2/20 0.43
SYK P43405 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
LCK P06239 2/20 0.40
EGFR P00533 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL3217405 0.97 MAP4K4 (0.51) MAP4K4BTKPDE10AJAK3AURKA
SCHEMBL3220338 0.93 PIM1 (0.50) MAP4K4BTKPDE10AJAK3AURKA
SCHEMBL3267839 0.91 CKS1B (0.47) MAP4K4BTKPDE10AJAK3AURKA
SCHEMBL3225528 0.88 CKS1B (0.50) BTKPDE10AJAK3PIM1PIM3
SCHEMBL3227404 0.82 ROCK1 (0.43) BTKMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL13456048 0.79 AKT1 (0.37) JAK3PIM1PIM3PIM2CYP2C19
SCHEMBL28138962 0.77 BTK (0.57) MAP4K4BTKPDE10AJAK3AURKA
SCHEMBL28138963 0.77 BTK (0.57) MAP4K4BTKPDE10AJAK3AURKA
SCHEMBL7980393 0.75 MAP4K4 (0.48) MAP4K4CYP3A4CYP2C19
SCHEMBL4705652 0.75 MAP4K4 (0.52) MAP4K4BTKPDE10AJAK3AURKA

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-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 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-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR4, HTR3B MAP4K4 2491/4885BTK 3252/4885PDE10A 345/4885

“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.