SCHEMBL3774514

SCHEMBL3774514

COc1ccc(-c2cnc(NC3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
GPR119 Q8TDV5 5/20 0.56
HTT P42858 2/20 0.53
USP30 Q70CQ3 1/20 0.53
MMP1 P03956 3/20 0.52
MMP3 P08254 3/20 0.52
MMP7 P09237 3/20 0.52
MMP9 P14780 3/20 0.52
MMP8 P22894 3/20 0.52
MMP13 P45452 3/20 0.52
MMP2 P08253 2/20 0.52
STS P08842 1/20 0.52
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50

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 0.88 USP30 (0.67) ALDH1A1GPR119HTTUSP30MAPT
SCHEMBL3775107 0.86 GPR119 (0.59) ALDH1A1GPR119HTTUSP30MAPT
SCHEMBL3775474 0.82 GPR119 (0.58) ALDH1A1GPR119HTTUSP30MAPT
SCHEMBL3769585 0.82 ALDH1A1 (0.56) ALDH1A1GPR119HTTUSP30MAPT
SCHEMBL30914985 0.82 ALDH1A1 (0.56) ALDH1A1GPR119HTTUSP30MAPT
SCHEMBL4109009 0.82 ALDH1A1 (1.00) ALDH1A1GPR119HTTMMP1MMP3
SCHEMBL23185880 0.81 ALDH1A1 (0.56) ALDH1A1GPR119HTTUSP30MAPT
SCHEMBL30915072 0.81 ALDH1A1 (0.57) ALDH1A1GPR119HTTUSP30STS
SCHEMBL3774389 0.81 ALDH1A1 (0.55) ALDH1A1GPR119HTTUSP30MAPT
SCHEMBL31737239 0.81 ALDH1A1 (0.55) ALDH1A1GPR119HTTUSP30MAPT

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 ALDH1A1 2891/4885GPR119 76/4885HTT 2028/4885

“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.