SCHEMBL1825352

SCHEMBL1825352

Nc1nc(N)nc(NCc2ccccc2O)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.56
CA12 O43570 5/20 0.56
CA9 Q16790 5/20 0.56
TSHR P16473 2/20 0.52
CYP2D6 P10635 1/20 0.52
HIF1A Q16665 1/20 0.52
ALDH1A1 P00352 5/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MAPT P10636 4/20 0.49
ADORA2A P29274 1/20 0.48
HTR2B P41595 1/20 0.48
GPR68 Q15743 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL20850459 0.87 CA12 (0.67) CA2CA12CA9TSHRCYP2D6
SCHEMBL14869494 0.86 APP (0.43) CA2CA12CA9ALDH1A1HPGD
SCHEMBL20850531 0.81 GPR68 (0.45) CA2CA12CA9ALDH1A1HPGD
SCHEMBL14869738 0.79 HRH4 (0.53) ALDH1A1HSD17B10NPSR1ADORA2AHTR2B
SCHEMBL31453478 0.79 MAPK1 (0.55) ALDH1A1HPGDNPSR1ADORA2AHTR2B
SCHEMBL12925543 0.78 HSD17B10 (0.45) CA2CA12CA9ALDH1A1HPGD
SCHEMBL20850722 0.77 GPR68 (0.47) CA2CA9NPSR1ADORA2AHTR2B
SCHEMBL28628643 0.76 HSPA5 (0.48) CA2CA12CA9TSHRALDH1A1
SCHEMBL14869519 0.76 CA1 (0.47) CA2CA9ADORA2AHTR2BGPR68
SCHEMBL14869522 0.74 ADORA2A (0.41) CA2CA12CA9TSHRALDH1A1

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
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
EP-2332926-A1 Melamine based Mannich-compounds and a process for obtaining the same Borealis Agrolinz Melamine GmbH (AT) 2011-06-15 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 CA2 3158/4885CA12 515/4885CA9 1619/4885

“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.