SCHEMBL21189123

SCHEMBL21189123

CC(C)(C)OC(=O)NC1CCN(c2nc(-c3n[nH]c(=O)[nH]3)cc3ccccc23)C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.51
PDE10A Q9Y233 2/20 0.47
LCK P06239 1/20 0.46
SRC P12931 1/20 0.46
PIM1 P11309 1/20 0.45
PIM3 Q86V86 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
AURKA O14965 3/20 0.43
PDPK1 O15530 3/20 0.43
AURKB Q96GD4 3/20 0.43

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
SCHEMBL16009362 0.87 BTK (0.54) BTKLCKSRC
SCHEMBL16008810 0.83 BTK (0.54) BTKLCKSRC
SCHEMBL16016637 0.79 PDE10A (0.51) BTKPDE10APIM1PIM3PIM2
SCHEMBL16008897 0.76 BTK (0.73) BTKLCKSRCPIM1PIM2
SCHEMBL16008896 0.76 BTK (0.73) BTKLCKSRCPIM1PIM2
SCHEMBL30377235 0.74 PDE10A (0.56) BTKPDE10APIM1PIM3PIM2
SCHEMBL17628041 0.74 PDE10A (0.56) BTKPDE10APIM1PIM3PIM2
SCHEMBL17628044 0.74 PDE10A (0.56) BTKPDE10APIM1PIM3PIM2
SCHEMBL16008423 0.72 BTK (0.79) BTKLCKSRC
SCHEMBL16008405 0.72 BTK (0.61) BTKLCKSRC

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-20190224190-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-07-25 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-20190224190-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 BTK 1/4885PDE10A 1849/4885LCK 2/4885

“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.