SCHEMBL2903601

SCHEMBL2903601

CCCCOC(=O)Nc1nc(NC(=O)OC)nc(NC(=O)OC)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.51
NPC1 O15118 6/20 0.51
CASP1 P29466 1/20 0.51
L3MBTL1 Q9Y468 4/20 0.50
TSHR P16473 5/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 5/20 0.48
NFKB1 P19838 1/20 0.48
STAT1 P42224 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HPGD P15428 4/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
MCL1 Q07820 1/20 0.48
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL2906397 1.00 RAB9A (0.51) RAB9ANPC1CASP1L3MBTL1TSHR
SCHEMBL994563 0.95 RAB9A (0.55) RAB9ANPC1CASP1L3MBTL1TSHR
SCHEMBL3369754 0.93 EPHX1 (0.54) RAB9ANPC1CASP1L3MBTL1ALDH1A1
SCHEMBL3368234 0.93 EPHX1 (0.54) RAB9ANPC1CASP1L3MBTL1ALDH1A1
SCHEMBL2909014 0.92 RAB9A (0.46) RAB9ANPC1CASP1L3MBTL1TSHR
SCHEMBL6675218 0.90 TSHR (0.56) RAB9ANPC1CASP1L3MBTL1TSHR
SCHEMBL3365339 0.89 SMN1; SMN2 (0.46) RAB9ANPC1CASP1SMN1; SMN2ALDH1A1
SCHEMBL3366859 0.89 SMN1; SMN2 (0.46) RAB9ANPC1CASP1SMN1; SMN2ALDH1A1
SCHEMBL6256084 0.89 RAB9A (0.52) RAB9ANPC1CASP1L3MBTL1TSHR
SCHEMBL6578691 0.88 TSHR (0.51) RAB9ANPC1CASP1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440065-B1 METHOD FOR PREPARING ALKOXYCARBONYLAMINO-TRIAZINES BASF SE (DE) 2010-10-06 EP disclosed
EP-1575927-B1 METHOD FOR THE PRODUCTION OF ALKOXYCARBONYLAMINO TRIAZINES BASF SE (DE) 2010-08-04 EP disclosed
US-7507818-B2 Method for the production of alkoxycarbonylaminotriazines BASF AKTIENGESELLSCHAFT (DE) 2009-03-24 US disclosed
US-7371856-B2 Preparation of alkoxycarbonylaminotriazines BASF AKTIENGESELLSCHAFT (DE) 2008-05-13 US disclosed
US-20070083047-A1 Preparation of Alkoxycarbonylaminotriazines BASF AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
US-7169923-B2 Method for preparing alkoxycarbonylamino-triazines BASF AKTIENGESELLSCHAFT (DE) 2007-01-30 US disclosed
US-20060069254-A1 Method for the production of alkoxycarbonylamino triazines BASF AKTIENGESELLSCHAFT (DE) 2006-03-30 US disclosed
US-20040249149-A1 Method for preparing alkoxycarbonylamino-triazines BASF AKTIENGESELLSCHAFT (DE) 2004-12-09 US disclosed
US-6506898-B1 Halogen-free, purity; curing agents CYTEC TECHNOLOGY CORP. 2003-01-14 US disclosed
EP-0624577-B1 Process for the preparation of 1,3,5-triazine carbamates, at least biscarbamate functional 1,3,5-triazines CYTEC TECH CORP (US) 2001-09-19 EP disclosed
US-6288226-B1 CURING CARBONATES CYTEC TECHNOLOGY CORPORATION 2001-09-11 US disclosed
US-6063922-A Carbamate functional 1,3,5-triazines CYTEC TECHNOLOGY CORP. (US) 2000-05-16 US disclosed
EP-0976739-A2 A Process for the preparation of 1,3,5-triazine carbamates, at least biscarbimate functional 1,3,5-triazines as well as use of 1,3,5-triazine carbamates CYTEC TECHNOLOGY CORP. (US) 2000-02-02 EP disclosed
US-5792866-A Process for the preparation of 1,3,5-triazine carbamates from amino 1,3,5-triazines and organic carbonates CYTEC TECHNOLOGY CORPORATION (US) 1998-08-11 US disclosed
US-5705641-A Process for the preparation of 1,3,5-triazine carbamates from amino-1,3,5-triazines and organic carbonates CYTEC TECHNOLOGY CORP. (US) 1998-01-06 US disclosed
EP-0624577-A1 Process for the preparation of 1,3,5-triazine carbamates, at least biscarbamate functional 1,3,5-triazines and their use as crosslinkers CYTEC TECHNOLOGY CORP. (US) 1994-11-17 EP 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 (3 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-20040249149-A1 Method for preparing alkoxycarbonylamino-triazines ADH1C, PNMT, TET2 RAB9A 4268/4885NPC1 4123/4885CASP1 4466/4885
US-20060069254-A1 Method for the production of alkoxycarbonylamino triazines ADH1C, ADH5, ADH1A RAB9A 4434/4885NPC1 3027/4885CASP1 3756/4885
US-20070083047-A1 Preparation of Alkoxycarbonylaminotriazines ADH1C, TET2, PNMT RAB9A 3671/4885NPC1 4355/4885CASP1 4467/4885

“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.