SCHEMBL6182129

SCHEMBL6182129

C=CCN(c1ccccc1)c1ncnc(N)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
BCL6 P41182 1/20 0.37
NPC1 O15118 1/20 0.37
JAK2 O60674 1/20 0.37
RAB9A P51151 1/20 0.37
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
ALDH1A1 P00352 1/20 0.36
DHFR P00374 6/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL8064471 0.84 MAPT (0.45) MAPTNPC1JAK2RAB9AADORA2A
SCHEMBL6262251 0.77 ALDH1A1 (0.39) MAPTBCL6NPC1RAB9AADORA2A
SCHEMBL24727888 0.77 ADORA2A (0.40) ADORA2AADORA1ALDH1A1ADORA3ADORA2B
SCHEMBL8015667 0.77 MAPT (0.44) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL15518737 0.72 PI4KA (0.40) MAPTNPC1RAB9AADORA2AADORA1
Benzene SCHEMBL27985319 0.72 ESR1 (0.44) MAPTALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL9818045 0.72 ESR1 (0.44) MAPTALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL39946 0.72 ESR1 (0.44) MAPTALDH1A1LMNASMN1; SMN2TSHR
Aniline SCHEMBL28290595 0.71 TSHR (0.46) MAPTALDH1A1SMN1; SMN2TSHR
Water SCHEMBL10786878 0.70 ESR1 (0.43) MAPTALDH1A1LMNASMN1; SMN2TSHR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087948-B1 2,4-DIAMINO-1,3,5-TRIAZINE, METHOD FOR THE PRODUCTION AND USE OF THE SAME AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE GMBH (DE) 2005-08-03 EP disclosed
US-6884758-B2 2,4-Diamino-1,3,5-triazines, their preparation, and their use as herbicides and plant growth regulators GOLDSCHMIDT AG (DE) 2005-04-26 US disclosed
US-6861389-B2 Substituted 2-amino-1,3,5-triazines, their preparation, and their use as herbicides and plant growth regulators AVENTIS CROPSCIENCE GMBH (DE) 2005-03-01 US disclosed
EP-1484324-A1 Substituted 2,4-diamino-1,3,5-triazines, processes for their preparation and their use as herbicides and plant growth regulators Bayer CropScience GmbH (DE) 2004-12-08 EP disclosed
US-20030204083-A1 Substituted 2-amino-1,3,5-triazines, their preparation, and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2003-10-30 US disclosed
US-20030162661-A1 2,4-Diamino-1,3,5-triazines, their preparation, and their use as herbicides and plant growth regulators BAYER CROPSCIENCE GMBH (DE) 2003-08-28 US disclosed
US-20020115567-A1 Substituted 2-amino-1,3,5-triazines, their preparation, and their use as herbicides and plant growth regulators AVENTIS CROPSCIENCE GMBH (DE) 2002-08-22 US disclosed
US-20020091260-A1 2,4-diamino-1,3,5-triazines, their preparation, and their use as herbicides and plant growth regulators GIENCKE WOLFGANG (DE) 2002-07-11 US disclosed
US-20010011063-A1 Substituted 2,4-diamino-1,3,5-triazines, processes for their preparation and their use as herbicides and plant growth regulators AVENTIS CROPSCIENCE GMBH (DE) 2001-08-02 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 (5 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-20030204083-A1 Substituted 2-amino-1,3,5-triazines, their preparation, and their use as herbicides and plant growth regulators QSOX1, DDT, MTX2 MAPT 4460/4885BCL6 2875/4885NPC1 4821/4885
US-20010011063-A1 Substituted 2,4-diamino-1,3,5-triazines, processes for their preparation and their use as herbicides and plant growth regulators DDT, DAZAP1, SAT1 MAPT 4401/4885BCL6 4658/4885NPC1 4813/4885
US-20020091260-A1 2,4-diamino-1,3,5-triazines, their preparation, and their use as herbicides and plant growth regulators DDT, DAZAP1, DCUN1D5 MAPT 3494/4885BCL6 4261/4885NPC1 4848/4885
US-20020115567-A1 Substituted 2-amino-1,3,5-triazines, their preparation, and their use as herbicides and plant growth regulators QSOX1, BCL2A1, BCL2L2 MAPT 4516/4885BCL6 3334/4885NPC1 4751/4885
US-20030162661-A1 2,4-Diamino-1,3,5-triazines, their preparation, and their use as herbicides and plant growth regulators DDT, DAZAP1, DCUN1D5 MAPT 3494/4885BCL6 4261/4885NPC1 4848/4885

“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.