SCHEMBL4251073

SCHEMBL4251073

C=CCC(=O)Nc1ncncn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
EPHX2 P34913 2/20 0.37
GAA P10253 2/20 0.33
NPC1 O15118 2/20 0.33
HCAR3 P49019 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
P2RX7 Q99572 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL8761220 0.83 LMNA (0.56) LMNAHTTGAANPSR1ALDH1A1
SCHEMBL2489636 0.76 ALDH1A1 (0.42) LMNAHTTEPHX2GAANPC1
SCHEMBL9948617 0.75 LMNA (0.46) LMNAHTTEPHX2GAASMN1; SMN2
SCHEMBL1088030 0.75 LMNA (0.41) LMNAHTTEPHX2GAANPSR1
SCHEMBL5931306 0.75 TGM2 (0.44) LMNAEPHX2
SCHEMBL28269863 0.72 ADORA1 (0.47) LMNAHTTALDH1A1HPGD
Methylamine SCHEMBL27678870 0.70 TGM2 (0.42) LMNAEPHX2
SCHEMBL6276961 0.70 NPSR1 (0.38) LMNAHTTGAANPSR1ALDH1A1
SCHEMBL16646934 0.70 SORT1 (0.41) LMNAHTTALDH1A1
SCHEMBL4957408 0.70 SMN1; SMN2 (0.36) LMNAHTTNPC1SMN1; SMN2NPSR1

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-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 LMNA 211/4885HTT 3514/4885EPHX2 1358/4885
US-20060069254-A1 Method for the production of alkoxycarbonylamino triazines ADH1C, ADH5, ADH1A LMNA 1887/4885HTT 2842/4885EPHX2 1165/4885
US-20070083047-A1 Preparation of Alkoxycarbonylaminotriazines ADH1C, TET2, PNMT LMNA 156/4885HTT 3763/4885EPHX2 1833/4885

“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.