SCHEMBL3365339

SCHEMBL3365339

CCCOC(=O)Nc1nc(NC(=O)OC)nc(NC(=O)OCCC)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 2/20 0.46
NPC1 O15118 2/20 0.46
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CASP1 P29466 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39

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
SCHEMBL3366859 1.00 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ATP53NPC1MAPK1
SCHEMBL3365548 0.94 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ATP53NPC1MAPK1
SCHEMBL2906397 0.89 RAB9A (0.51) SMN1; SMN2RAB9ANPC1MAPK1ALDH1A1
SCHEMBL2903601 0.89 RAB9A (0.51) SMN1; SMN2RAB9ANPC1MAPK1ALDH1A1
SCHEMBL3368234 0.86 EPHX1 (0.54) RAB9ANPC1ALDH1A1CSNK2A2CSNK2A1
SCHEMBL3369754 0.86 EPHX1 (0.54) RAB9ANPC1ALDH1A1CSNK2A2CSNK2A1
SCHEMBL3364492 0.85 KMT2A (0.49) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL3367290 0.85 KMT2A (0.49) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL994563 0.83 RAB9A (0.55) SMN1; SMN2RAB9ANPC1MAPK1ALDH1A1
SCHEMBL2909014 0.82 RAB9A (0.46) SMN1; SMN2RAB9ATP53NPC1MAPK1

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
EP-1440065-B1 METHOD FOR PREPARING ALKOXYCARBONYLAMINO-TRIAZINES BASF SE (DE) 2010-10-06 EP 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-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 (2 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 SMN1; SMN2 2328/4885RAB9A 4268/4885TP53 4201/4885
US-20070083047-A1 Preparation of Alkoxycarbonylaminotriazines ADH1C, TET2, PNMT SMN1; SMN2 2648/4885RAB9A 3671/4885TP53 4506/4885

“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.