SCHEMBL1817685

SCHEMBL1817685

CN(C)c1nc(NCCO)nc(N(C)C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
CREBBP Q92793 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 4/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
SLC29A1 Q99808 3/20 0.43
RECQL P46063 1/20 0.42
MCL1 Q07820 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL1817811 0.96 GAA (0.50) GAAKMT2AMEN1MAPK1POLB
SCHEMBL14554035 0.89 GAA (0.49) GAAKMT2AMEN1MAPK1POLB
SCHEMBL1033546 0.82 CA1 (0.47) GAAKMT2AMEN1MAPK1POLB
SCHEMBL2218301 0.79 KMT2A (0.46) GAAKMT2AMEN1MAPK1POLB
Altretamine SCHEMBL28612919 0.78 CYP1A2 (0.50) GAAPOLBLMNACYP1A2THRB
SCHEMBL20164783 0.78 SLC29A1 (0.51) GAAKMT2AMEN1MAPK1ALDH1A1
SCHEMBL11687863 0.78 SMN1; SMN2 (0.50) GAAKMT2AMAPK1POLBLMNA
SCHEMBL2219150 0.78 SLC29A1 (0.49) GAAKMT2AMEN1MAPK1SLC29A1
Hydrochloric Acid SCHEMBL20164622 0.77 SLC29A1 (0.50) GAAKMT2AMEN1MAPK1ALDH1A1
SCHEMBL13220471 0.77 SLC29A1 (0.50) GAAKMT2AMEN1MAPK1ALDH1A1

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-2504320-B1 Melamine based mannich-compounds and a process for obtaining the same BOREALIS AGROLINZ MELAMINE (AT) 2015-10-14 EP disclosed
US-8802848-B2 Melamine based mannich-compounds and a process for obtaining the same BOREALIS AGROLINZ MELAMINE GMBH (AT) 2014-08-12 US disclosed
US-20120277429-A1 Melamine Based Mannich-Compounds and a Process for Obtaining the Same BOREALIS AGROLINZ MELAMINE GMBH (AT) 2012-11-01 US disclosed
EP-2504320-A1 MELAMINE BASED MANNICH-COMPOUNDS AND A PROCESS FOR OBTAINING THE SAME Borealis Agrolinz Melamine GmbH (AT) 2012-10-03 EP disclosed
WO-2011061220-A1 MELAMINE BASED MANNICH-COMPOUNDS AND A PROCESS FOR OBTAINING THE SAME BOREALIS AGROLINZ MELAMINE GMBH (AT) 2011-05-26 WO 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-20120277429-A1 Melamine Based Mannich-Compounds and a Process for Obtaining the Same MAN2A1, MANBA, MAN2B2 GAA 875/4885KMT2A 203/4885MEN1 6/4885

“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.