SCHEMBL2504091

SCHEMBL2504091

C[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(F)cc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.53
ALPL P05186 1/20 0.51
ALPI P09923 1/20 0.51
ALPG P10696 1/20 0.51
MPO P05164 1/20 0.46
TSHR P16473 1/20 0.44
BACE1 P56817 2/20 0.43
BACE2 Q9Y5Z0 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
PRCP P42785 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41

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
SCHEMBL2504088 1.00 AAK1 (0.53) AAK1ALPLALPIALPGMPO
SCHEMBL2505196 0.86 AAK1 (0.48) AAK1TSHRL3MBTL1HRH4PRCP
SCHEMBL2505194 0.86 AAK1 (0.48) AAK1TSHRL3MBTL1HRH4PRCP
SCHEMBL13498185 0.86 AAK1 (0.48) AAK1TSHRL3MBTL1HRH4PRCP
SCHEMBL11901522 0.84 AAK1 (0.47) AAK1ALPLALPIALPGMPO
SCHEMBL2549911 0.83 AAK1 (0.54) AAK1TSHRL3MBTL1PRCP
SCHEMBL8330091 0.83 TSHR (0.59) AAK1TSHRL3MBTL1
SCHEMBL6304376 0.83 TSHR (0.59) AAK1TSHRL3MBTL1
SCHEMBL2509706 0.83 ALPL (0.58) ALPLALPIALPGMPOTSHR
SCHEMBL8069847 0.82 PRCP (0.42) AAK1PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
EP-2552908-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-02-06 EP disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 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-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 AAK1 836/4885ALPL 3711/4885ALPI 1450/4885

“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.