SCHEMBL858362

SCHEMBL858362

COc1cnc(Cl)nc1N/C(=N\O)NC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
PDK1 Q15118 3/20 0.33
NFKB1 P19838 2/20 0.33
ATF1 P18846 1/20 0.33
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33
JUN P05412 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
LRRK2 Q5S007 2/20 0.32
PKM P14618 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
PIN1 Q13526 2/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL858364 1.00 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1621164 0.87 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2EGFRKDR
SCHEMBL862858 0.87 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2EGFRKDR
SCHEMBL14300707 0.84 KMT2A (0.40) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL23924759 0.78 EGFR (0.46) KDM4EALDH1A1SMN1; SMN2NFKB1ATF1
SCHEMBL12067848 0.76 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL862853 0.74 MAPKAPK2 (0.39) KDM4ESMN1; SMN2KMT2AMEN1EGFR
SCHEMBL863038 0.73 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2EGFRKDR
SCHEMBL1619623 0.73 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2EGFRKDR
SCHEMBL18175977 0.72 KDR (0.38) KDM4EALDH1A1SMN1; SMN2EGFRKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2851367-B1 PROCESS FOR THE PREPARATION OF A 2-AMINO-5,8-ALKOXY[1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE BY REACTION OF A 5-HALO-8-ALKOXY[1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-AMINE WITH AN ALKALI METAL ALKOXIDE IN AN ALCOHOLIC SOLVENT DOW AGROSCIENCES LLC (US) 2016-10-26 EP disclosed
EP-2576558-B9 PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED-8-ALKOXY[1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-AMINES DOW AGROSCIENCES LLC (US) 2015-07-08 EP disclosed
EP-2851367-A1 Process for the preparation of a 2-amino-5,8-alkoxy[1,2,4]triazolo[1,5-c]pyrimidine by reaction of a 5-halo-8-alkoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-amine with an alkali metal alkoxide in an alcoholic solvent Dow AgroSciences LLC (US) 2015-03-25 EP disclosed
EP-2576558-B1 PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED-8-ALKOXY[1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-AMINES DOW AGROSCIENCES LLC (US) 2014-12-24 EP disclosed
EP-2576558-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED-8-ALKOXY[1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-AMINES Dow AgroSciences LLC (US) 2013-04-10 EP disclosed
US-8338596-B2 Process for the preparation of 5-substituted-8-alkoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-amines DOW AGROSCIENCES LLC (US) 2012-12-25 US disclosed
US-20120088913-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED-8-ALKOXY[1,2,4]TRIAZOLO[1,5-c]PYRIMIDIN-2-AMINES DOW AGROSCIENCES LLC (US) 2012-04-12 US disclosed
US-8143395-B2 Process for the preparation of 5-substituted-8-alkoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-amines DOW AGROSCIENCES LLC (US) 2012-03-27 US disclosed
WO-2011149861-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED-8-ALKOXY[1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-AMINES DOW AGROSCIENCES LLC (US) 2011-12-01 WO disclosed
US-20110295003-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED-8-ALKOXY[1,2,4]TRIAZOLO[1,5-c]PYRIMIDIN-2-AMINES DOW AGROSCIENCES LLC (US) 2011-12-01 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-20110295003-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED-8-ALKOXY[1,2,4]TRIAZOLO[1,5-c]PYRIMIDIN-2-AMINES PAH, AZI2, ABL2 KDM4E 561/4885ALDH1A1 341/4885SMN1; SMN2 1156/4885
US-20120088913-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED-8-ALKOXY[1,2,4]TRIAZOLO[1,5-c]PYRIMIDIN-2-AMINES PAH, AZI2, ABL2 KDM4E 561/4885ALDH1A1 341/4885SMN1; SMN2 1156/4885

“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.