SCHEMBL2120160

SCHEMBL2120160

O=[N+]([O-])c1cnn(-c2cccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
RXFP1 Q9HBX9 2/20 0.46
CYP2A6 P11509 1/20 0.46
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
MAPT P10636 5/20 0.45
MEN1 O00255 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MTOR P42345 2/20 0.42
F2 P00734 1/20 0.42
PLAU P00749 1/20 0.42
ELANE P08246 1/20 0.42

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
SCHEMBL224389 0.83 HSP90AA1 (0.62) HSP90AA1RXFP1MGAMGAASI
SCHEMBL25209653 0.82 MGAM (0.51) HSP90AA1RXFP1MGAMGAASI
SCHEMBL8816840 0.81 HSP90AA1 (0.51) HSP90AA1MAPTMEN1KMT2AKDM4E
Bromide SCHEMBL8817521 0.80 HSP90AA1 (0.50) HSP90AA1MAPTMEN1KMT2AKDM4E
SCHEMBL30729451 0.76 ALDH1A1 (0.51) HSP90AA1RXFP1MGAMGAASI
SCHEMBL26696761 0.76 HSP90AA1 (0.48) HSP90AA1RXFP1MGAMGAASI
SCHEMBL22633155 0.76 KEAP1 (0.56) HSP90AA1MGAMGAASIMGAM2
SCHEMBL1519788 0.76 MGAM (0.44) HSP90AA1RXFP1MGAMGAASI
SCHEMBL12410576 0.75 HSP90AA1 (0.42) HSP90AA1CYP2A6GAAMAPTMEN1
SCHEMBL12410587 0.74 CYP2A6 (0.56) CYP2A6HTTALDH1A1MTORRPTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3267996-B1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2020-11-11 EP disclosed
US-20200055846-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2020-02-20 US disclosed
US-20200055846-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2020-02-20 US disclosed
US-10329294-B2 Pyrazolopyrimidine inhibitors of IRAK4 activity MERCK SHARP & DOHME CORP. (US) 2019-06-25 US disclosed
US-10165775-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2019-01-01 US disclosed
US-10165775-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2019-01-01 US disclosed
US-20180051028-A1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2018-02-22 US disclosed
EP-3267996-A1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY Merck Sharp & Dohme Corp. (US) 2018-01-17 EP disclosed
US-20170267657-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-09-21 US disclosed
US-20170267657-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-09-21 US disclosed
WO-2012061290-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-10 WO disclosed
WO-2012061290-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-10 WO disclosed
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto CORTEVA AGRISCIENCE LLC 2012-05-03 US disclosed
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto CORTEVA AGRISCIENCE LLC 2012-05-03 US disclosed
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto CORTEVA AGRISCIENCE LLC 2012-05-03 US disclosed
US-20120095023-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2012-04-19 US disclosed
US-20120095023-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2012-04-19 US disclosed
US-20120095023-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2012-04-19 US disclosed
WO-2011128304-A2 NOVEL HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2011-10-20 WO disclosed
WO-2011128304-A2 NOVEL HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2011-10-20 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 (7 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-10329294-B2 Pyrazolopyrimidine inhibitors of IRAK4 activity IRAK4, IRAK2, IRAK1 HSP90AA1 2902/4885RXFP1 4235/4885CYP2A6 3594/4885
US-20200055846-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS HSP90AA1 511/4885RXFP1 1210/4885CYP2A6 368/4885
US-20120095023-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, AADAC HSP90AA1 1075/4885RXFP1 3353/4885CYP2A6 1693/4885
US-20170267657-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS HSP90AA1 511/4885RXFP1 1210/4885CYP2A6 368/4885
US-20180051028-A1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY IRAK4, IRAK2, IRAK1 HSP90AA1 2902/4885RXFP1 4235/4885CYP2A6 3594/4885
US-10165775-B2 Pesticidal compositions and processes related thereto ACHE, DDT, PTMS HSP90AA1 511/4885RXFP1 1210/4885CYP2A6 368/4885
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto ACHE, DDT, PTMS HSP90AA1 511/4885RXFP1 1210/4885CYP2A6 368/4885

“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.