SCHEMBL1402162

SCHEMBL1402162

Nc1cnc2cnc[nH]c1-2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.41
ASIC3 Q9UHC3 2/20 0.39
ALDH1A1 P00352 1/20 0.34
FKBP5 Q13451 1/20 0.34
HRH3 Q9Y5N1 4/20 0.33
HRH4 Q9H3N8 3/20 0.33
HRH2 P25021 2/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.33
MIF P14174 1/20 0.33
TSHR P16473 1/20 0.33
HRH1 P35367 1/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APEX1 P27695 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGDS O60760 1/20 0.32

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
SCHEMBL4067921 0.74 ALDH1A1 (0.34) IDO1ASIC3ALDH1A1FKBP5HRH3
SCHEMBL14250023 0.71 PARP1 (0.37) IDO1ALDH1A1CYP3A4TSHRMAPT
Hydrochloric Acid SCHEMBL1439124 0.70 PARP1 (0.36) IDO1ALDH1A1CYP3A4TSHRMAPT
SCHEMBL13725534 0.69 KMT2A (0.33) IDO1ALDH1A1FKBP5CYP3A4TSHR
SCHEMBL27751556 0.69 IDO1 (0.37) IDO1ALDH1A1FKBP5HRH3CYP3A4
SCHEMBL28089940 0.68 CYP3A4 (0.39) IDO1ALDH1A1CYP3A4TSHRMAPT
SCHEMBL14949552 0.65 NPC1 (0.36) ALDH1A1FKBP5CYP3A4TSHRMAPT
SCHEMBL72511 0.63
SCHEMBL7854 0.62
SCHEMBL7194641 0.61 IDO1 (0.59) IDO1ASIC3ALDH1A1FKBP5HRH3

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160295869-A1 Combinations Comprising a Fungicidal Strain and an Active Compound BAYER CROPSCIENCE LP 2016-10-13 US claimed
WO-2016001110-A1 PROCESS FOR PRODUCING 2-PROPIONYLALKANONITRILES BASF SE (DE) 2016-01-07 WO claimed
EP-2324710-A1 Combinations comprising a fungicidal strain and at least one additional fungicide BASF SE (DE) 2011-05-25 EP claimed
EP-2292099-A1 Combinations comprising a fungicidal strain and at least one additional fungicide BASF SE (DE) 2011-03-09 EP claimed
US-20100209410-A1 Combinations Comprising a Fungicidal Strain and an Active Compound BASF SE (DE) 2010-08-19 US claimed
EP-2192841-A2 COMBINATIONS COMPRISING A FUNGICIDAL STRAIN AND AT LEAST ONE ADDITIONAL FUNGICIDE Basf Se (DE) 2010-06-09 EP claimed
WO-2009037242-A2 COMBINATIONS COMPRISING A FUNGICIDAL STRAIN AND AN ACTIVE COMPOUND BASF SE (DE) 2009-03-26 WO claimed
WO-2008046856-A2 FUNGICIDAL COMPOSITIONS BASF SE (DE) 2008-04-24 WO claimed
EP-1856122-A2 2-SUBSTITUTED 7-AMINO-AZOLOPYRIMIDINE, A METHOD FOR THE PRODUCTION AND USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI AND AGENTS CONTAINING SAID COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2007-11-21 EP claimed
WO-2006092428-A2 2-SUBSTITUTED 7-AMINO-AZOLOPYRIMIDINE, A METHOD FOR THE PRODUCTION AND USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI AND AGENTS CONTAINING SAID COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2006-09-08 WO claimed
EP-3510869-A1 COMBINATIONS COMPRISING A FUNGICIDAL STRAIN AND AN ACTIVE COMPOUND Bayer Cropscience LP (US) 2019-07-17 EP disclosed
EP-3381289-A1 COMBINATIONS COMPRISING A FUNGICIDAL STRAIN AND AN ACTIVE COMPOUND Bayer Cropscience LP (US) 2018-10-03 EP disclosed
US-20170318816-A1 Combinations Comprising a Fungicidal Strain and an Active Compound BAYER CROPSCIENCE LP 2017-11-09 US disclosed
US-9743674-B2 Combinations comprising a fungicidal strain and an active compound BAYER CROPSCIENCE LP (US) 2017-08-29 US disclosed
EP-2922549-B1 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2017-06-21 EP disclosed
WO-2007012598-A1 FUNGICIDAL MIXTURES BASED ON AZOLOPYRIMIDINYLAMINES BASF AKTIENGESELLSCHAFT (DE) 2007-02-01 WO disclosed
WO-2006092428-A3 2-SUBSTITUTED 7-AMINO-AZOLOPYRIMIDINE, A METHOD FOR THE PRODUCTION AND USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI AND AGENTS CONTAINING SAID COMPOUND BASF AG (DE) 2006-11-30 WO disclosed
WO-2006092428-A2 2-SUBSTITUTED 7-AMINO-AZOLOPYRIMIDINE, A METHOD FOR THE PRODUCTION AND USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI AND AGENTS CONTAINING SAID COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2006-09-08 WO disclosed
WO-2006092428-A2 2-SUBSTITUTED 7-AMINO-AZOLOPYRIMIDINE, A METHOD FOR THE PRODUCTION AND USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI AND AGENTS CONTAINING SAID COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2006-09-08 WO disclosed
WO-1997049706-A1 SUBSTITUTED 7-AMINO-PYRROLO[3,2-d]PYRIMIDINES AND THE USE THEREOF NOVARTIS AG (CH) 1997-12-31 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 (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-20100209410-A1 Combinations Comprising a Fungicidal Strain and an Active Compound O60361, SPOUT1, FBL IDO1 2766/4885ASIC3 3973/4885ALDH1A1 3122/4885
US-20170318816-A1 Combinations Comprising a Fungicidal Strain and an Active Compound O60361, SPOUT1, FBL IDO1 2211/4885ASIC3 4288/4885ALDH1A1 2778/4885
US-20160295869-A1 Combinations Comprising a Fungicidal Strain and an Active Compound O60361, SPOUT1, FBL IDO1 2724/4885ASIC3 4124/4885ALDH1A1 3142/4885

“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.