SCHEMBL15068809

SCHEMBL15068809

CC(C)(C)OC(=O)N1CCN(c2ccc3cc(-c4ccn(-c5ccccc5)n4)c(=O)oc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.44
PDK2 Q15119 1/20 0.43
JAK2 O60674 2/20 0.42
JAK3 P52333 2/20 0.42
P2RX7 Q99572 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
ADORA2A P29274 1/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
MAOB P27338 1/20 0.40
SUV39H2 Q9H5I1 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
GRM5 P41594 1/20 0.40
GRM1 Q13255 1/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL15068836 0.89 SUV39H2 (0.42) BACE1PDK2ADORA2AMAOBSUV39H2
SCHEMBL15068694 0.84 MIF (0.42) ADORA2AALDH1A1LMNAKDM4E
SCHEMBL15066677 0.82 PDK2 (0.45) BACE1PDK2JAK2JAK3GPR119
SCHEMBL16674790 0.82 MIF (0.43) ALDH1A1LMNAKDM4EMAPT
SCHEMBL15068663 0.81 MAOB (0.42) BACE1PDK2GPR119SMARCA2SMARCA4
SCHEMBL15066910 0.81 MIF (0.43) ALDH1A1LMNAKDM4E
SCHEMBL15068991 0.81 MAOB (0.46) BACE1PDK2GPR119ADORA2ASMARCA2
SCHEMBL15066820 0.80 PDK2 (0.44) BACE1PDK2GPR119ADORA2ASMARCA2
SCHEMBL15065727 0.80 ALK (0.55) BACE1PDK2GPR119SMARCA2SMARCA4
SCHEMBL15068885 0.80 BACE1 (0.47) BACE1PDK2JAK2JAK3GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47689-E1 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2019-11-05 US disclosed
EP-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 EP disclosed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US disclosed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US disclosed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 US disclosed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 US disclosed
EP-2797592-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2014-11-05 EP disclosed
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 WO disclosed
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 WO 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-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, RBM17, RBM22 BACE1 1158/4885PDK2 2883/4885JAK2 4475/4885

“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.