SCHEMBL2909014

SCHEMBL2909014

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.46
NPC1 O15118 7/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
CASP1 P29466 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
TSHR P16473 5/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 5/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
STAT1 P42224 1/20 0.43
HPGD P15428 4/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
GLA P06280 1/20 0.43
MCL1 Q07820 1/20 0.43

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
SCHEMBL2907201 0.95 RAB9A (0.49) RAB9ANPC1SMN1; SMN2CASP1L3MBTL1
SCHEMBL8700894 0.94 RAB9A (0.48) RAB9ANPC1SMN1; SMN2CASP1L3MBTL1
SCHEMBL7772250 0.92 RAB9A (0.49) RAB9ANPC1SMN1; SMN2CASP1L3MBTL1
SCHEMBL2906397 0.92 RAB9A (0.51) RAB9ANPC1SMN1; SMN2CASP1L3MBTL1
SCHEMBL2903601 0.92 RAB9A (0.51) RAB9ANPC1SMN1; SMN2CASP1L3MBTL1
SCHEMBL994563 0.87 RAB9A (0.55) RAB9ANPC1SMN1; SMN2CASP1L3MBTL1
SCHEMBL7985305 0.87 RAB9A (0.43) RAB9ANPC1SMN1; SMN2CASP1L3MBTL1
SCHEMBL3369754 0.86 EPHX1 (0.54) RAB9ANPC1CASP1L3MBTL1ALDH1A1
SCHEMBL3368234 0.86 EPHX1 (0.54) RAB9ANPC1CASP1L3MBTL1ALDH1A1
SCHEMBL6257450 0.86 RAB9A (0.48) RAB9ANPC1SMN1; SMN2CASP1L3MBTL1

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 8 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

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 4123/4885SMN1; SMN2 2328/4885
US-20060069254-A1 Method for the production of alkoxycarbonylamino triazines ADH1C, ADH5, ADH1A RAB9A 4434/4885NPC1 3027/4885SMN1; SMN2 4364/4885
US-20070083047-A1 Preparation of Alkoxycarbonylaminotriazines ADH1C, TET2, PNMT RAB9A 3671/4885NPC1 4355/4885SMN1; SMN2 2648/4885

“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.