SCHEMBL13623221

SCHEMBL13623221

CC(C)(C)OC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2Br)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
MAPT P10636 1/20 0.47
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
SUV39H2 Q9H5I1 7/20 0.46
CTSK P43235 2/20 0.45
HTT P42858 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 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
SCHEMBL4287745 0.88 ALDH1A1 (0.51) DRD2MAPTPIM1PIM3PIM2
SCHEMBL4287750 0.88 ALDH1A1 (0.51) DRD2MAPTPIM1PIM3PIM2
SCHEMBL5232224 0.88 ALDH1A1 (0.51) DRD2MAPTPIM1PIM3PIM2
SCHEMBL12836001 0.86 LMNA (0.54) DRD2MAPTPIM1PIM3PIM2
SCHEMBL7852754 0.85 ALDH1A1 (0.48) DRD2MAPTPIM1PIM3PIM2
SCHEMBL7852751 0.85 ALDH1A1 (0.48) DRD2MAPTPIM1PIM3PIM2
SCHEMBL4367577 0.84 TDP1 (0.48) MAPTHTTALDH1A1SMN1; SMN2TDP1
SCHEMBL1027561 0.84 TDP1 (0.48) MAPTHTTALDH1A1SMN1; SMN2TDP1
SCHEMBL13419583 0.83 ALDH1A1 (0.58) DRD2MAPTSUV39H2HTTALDH1A1
SCHEMBL30781309 0.83 PIM1 (0.49) DRD2PIM1PIM3PIM2SUV39H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK DRD2 4537/4885MAPT 3239/4885PIM1 59/4885

“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.