SCHEMBL3775474

SCHEMBL3775474

CC(C)(C)OC(=O)N1CCC(Nc2ncc(-c3cccnc3)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.58
USP30 Q70CQ3 2/20 0.55
CCNA2 P20248 1/20 0.54
CDK2 P24941 1/20 0.54
KIT P10721 1/20 0.52
ALDH1A1 P00352 2/20 0.50
GBA1 P04062 1/20 0.50
KDM1A O60341 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
JAK1 P23458 1/20 0.47
HPGDS O60760 1/20 0.46
SYK P43405 1/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
IDH1 O75874 1/20 0.45

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
SCHEMBL3775260 0.89 USP30 (0.67) GPR119USP30ALDH1A1NPC1MAPT
SCHEMBL4062890 0.83 GPR119 (0.61) GPR119USP30CCNA2CDK2ALDH1A1
SCHEMBL1876139 0.82 GPR119 (0.65) GPR119CCNA2CDK2ALDH1A1NPC1
SCHEMBL31023936 0.82 GPR119 (0.65) GPR119CCNA2CDK2ALDH1A1NPC1
SCHEMBL3774514 0.82 ALDH1A1 (0.69) GPR119USP30ALDH1A1NPC1MAPT
SCHEMBL2774614 0.82 GPR119 (0.59) GPR119USP30KITGBA1KDM1A
SCHEMBL6786128 0.81 GPR119 (0.60) GPR119KITGBA1MAPT
SCHEMBL3775107 0.81 GPR119 (0.59) GPR119USP30ALDH1A1NPC1MAPT
SCHEMBL3769585 0.81 ALDH1A1 (0.56) GPR119USP30CCNA2CDK2ALDH1A1
SCHEMBL30914985 0.81 ALDH1A1 (0.56) GPR119USP30ALDH1A1NPC1MAPT

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 6 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
CN-101405284-A Pyrimidine, quinazoline, pteridine and derivatives HOFFMANN LA ROCHE (CH) 2009-04-08 CN 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 GPR119 76/4885USP30 3950/4885CCNA2 1460/4885

“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.