SCHEMBL17092665

SCHEMBL17092665

CC(C)(C)OC(=O)N1CCC(c2ccc3sc(C(=O)N4CCNCC4)nc3c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ GPR119 Q8TDV5 5/20 0.42
▸ HTT P42858 2/20 0.42
▸ DYRK1A Q13627 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ PDE4B Q07343 1/20 0.40
▸ IGF1R P08069 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SYK P43405 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CRHBP P24387 1/20 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
SCHEMBL17109235 0.93 RBP4 (0.43) RBP4SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL17690473 0.81 PRKAA2 (0.53) RBP4MAPTTHRB
SCHEMBL17092664 0.79 PIK3CA (0.51) —
SCHEMBL2589502 0.77 PDE4B (0.47) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL17092666 0.76 HRH4 (0.50) RBP4KDM4EMAPTTHRBNAMPT
SCHEMBL17109236 0.74 PRKAA2 (0.54) MAPTTHRB
SCHEMBL14695355 0.73 GPR119 (0.58) GPR119DYRK1A
SCHEMBL25914622 0.72 UBE2M (0.40) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL16306693 0.72 RAB9A (0.49) RBP4SMN1; SMN2DYRK1AALDH1A1HPGD
SCHEMBL12354084 0.72 HPGD (0.52) RBP4SMN1; SMN2DYRK1AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3009424-B1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2017-12-20 — — EP disclosed
EP-3009424-B1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2017-12-20 — — EP disclosed
US-9428501-B2 Bicyclic nitrogen-containing aromatic heterocyclic amide compound ASTELLAS PHARMA INC. (JP) 2016-08-30 — — US disclosed
US-9428501-B2 Bicyclic nitrogen-containing aromatic heterocyclic amide compound ASTELLAS PHARMA INC. (JP) 2016-08-30 — — US disclosed
US-9428501-B2 Bicyclic nitrogen-containing aromatic heterocyclic amide compound ASTELLAS PHARMA INC. (JP) 2016-08-30 — — US disclosed
EP-3009424-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 — — EP disclosed
EP-3009424-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 — — EP disclosed
US-20150266869-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-09-24 — — US disclosed
US-20150266869-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-09-24 — — US disclosed
US-20150266869-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-09-24 — — 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-20150266869-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND PIK3CA, SLC16A3, MCTS1 RBP4 3774/4885SMN1; SMN2 4018/4885KDM4E 399/4885

“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.

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