SCHEMBL17312416

SCHEMBL17312416

CC(C)(C)N(C(=O)O)C1CCc2ccc(Br)cc2NC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.39
AHR P35869 1/20 0.39
RIPK1 Q13546 2/20 0.35
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
DPP4 P27487 1/20 0.33
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
NQO2 P16083 1/20 0.32
PYGL P06737 1/20 0.32
PYGM P11217 1/20 0.32
BACE1 P56817 1/20 0.31
ACHE P22303 1/20 0.31
XIAP P98170 1/20 0.31
IDH1 O75874 1/20 0.31
F2RL1 P55085 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL17312415 1.00 CMA1 (0.39) CMA1AHRRIPK1LMNAPKM
SCHEMBL2283134 0.91 RIPK1 (0.43) RIPK1LMNAPKMPOLBCYP3A4
SCHEMBL2284752 0.91 RIPK1 (0.43) RIPK1LMNAPKMPOLBCYP3A4
SCHEMBL17312602 0.87 OPRM1 (0.35) LMNACYP3A4DDB1CRBNPYGL
SCHEMBL17312604 0.87 OPRM1 (0.35) LMNACYP3A4DDB1CRBNPYGL
SCHEMBL2283972 0.83 PYGL (0.43) RIPK1DDB1CRBNPYGLPYGM
SCHEMBL2281716 0.83 PYGL (0.43) RIPK1DDB1CRBNPYGLPYGM
SCHEMBL18497279 0.83 ACHE (0.40) LMNAACHE
SCHEMBL17312520 0.80 BACE1 (0.34) BACE1
SCHEMBL17312516 0.80 BACE1 (0.34) BACE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556152-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-31 US disclosed
US-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-10 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-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP3K3 CMA1 3323/4885AHR 1592/4885RIPK1 349/4885

“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.