SCHEMBL3775260

SCHEMBL3775260

CC(C)(C)OC(=O)N1CCC(Nc2ncc(-c3ccccc3)cn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.67
HPGDS O60760 2/20 0.54
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CKS1B P61024 2/20 0.53
SKP1 P63208 2/20 0.53
SKP2 Q13309 2/20 0.53
GPR119 Q8TDV5 4/20 0.51
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
JAK1 P23458 1/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL3775474 0.89 GPR119 (0.58) USP30HPGDSALDH1A1NPC1MAPT
SCHEMBL3774514 0.88 ALDH1A1 (0.69) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL3775107 0.87 GPR119 (0.59) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL3776289 0.85 ALDH1A1 (0.54) USP30HPGDSALDH1A1NPC1MAPT
SCHEMBL30914985 0.84 ALDH1A1 (0.56) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL3769585 0.84 ALDH1A1 (0.56) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL4062890 0.84 GPR119 (0.61) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL31737239 0.83 ALDH1A1 (0.55) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL30915072 0.83 ALDH1A1 (0.57) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL3774389 0.83 ALDH1A1 (0.55) USP30ALDH1A1NPC1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855194-B2 Pyrimidine, quinazoline, pteridine and triazine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-21 US disclosed
EP-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
EP-2001867-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-12-17 EP disclosed
WO-2007110340-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO disclosed
US-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-09-27 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-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives SSTR5, SSTR3, SSTR1 USP30 3950/4885HPGDS 1221/4885ALDH1A1 2891/4885

“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.