SCHEMBL3002833

SCHEMBL3002833

CC(C)(C)OC(=O)n1cnc2c(Cl)nc([N+](=O)[O-])nc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
KCNH2 Q12809 1/20 0.33
POLB P06746 1/20 0.33
ADORA3 P0DMS8 2/20 0.32
GPR119 Q8TDV5 1/20 0.32
PIK3CD O00329 1/20 0.30

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
SCHEMBL12072478 0.81 HSP90AB1 (0.46) HSP90AA1HSP90AB1
SCHEMBL5106770 0.78 P2RX7 (0.41) HSP90AA1HSP90AB1POLBGPR119PIK3CD
SCHEMBL14252614 0.76 KCNH2 (0.35) ALDH1A1LMNAMAPTHSP90AA1HSP90AB1
SCHEMBL5100235 0.74 KDM4E (0.46) ALDH1A1LMNAMAPTHSP90AA1HSP90AB1
SCHEMBL2996530 0.74 JAK2 (0.44) MAPT
SCHEMBL29124866 0.73 CDK1 (0.51) HSP90AA1HSP90AB1ADORA3
SCHEMBL4171172 0.72 POLB (0.39) LMNAHSP90AA1HSP90AB1POLBGPR119
SCHEMBL2275002 0.70 HSP90AA1 (0.40) HSP90AA1HSP90AB1ADORA3PIK3CD
SCHEMBL2860553 0.69 MET (0.40) ALDH1A1LMNAMAPT
SCHEMBL21594947 0.69 ADORA3 (0.35) HSP90AA1HSP90AB1POLBADORA3PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662194-B2 Substituted 6-anilino-9-heterocyclylpurine derivatives for inhibition of plant stress UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2020-05-26 US disclosed
EP-3233860-B1 SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS UNIV PALACKEHO (CZ) 2020-01-29 EP disclosed
US-20170342072-A1 SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2017-11-30 US disclosed
EP-2173173-B1 SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIV PALACKEHO (CZ) 2013-07-24 EP disclosed
US-8222260-B2 Substituted 6-anilinopurine derivatives as inhibitors of cytokinin oxidase/dehydrogenase and preparations containing these derivatives Univerzita Palackego V Olomouci (CZ) 2012-07-17 US disclosed
US-20100190806-A1 SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2010-07-29 US disclosed
EP-2173173-A2 SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES Univerzita palackeho V Olomouci (CZ) 2010-04-14 EP disclosed
WO-2009003428-A2 SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2009-01-08 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-10662194-B2 Substituted 6-anilino-9-heterocyclylpurine derivatives for inhibition of plant stress TPMT, MTAP, ATIC ALDH1A1 1374/4885LMNA 4841/4885MAPT 3651/4885
US-20100190806-A1 SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES DPYD, XDH, APRT ALDH1A1 89/4885LMNA 4685/4885MAPT 4484/4885
US-20170342072-A1 SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS TPMT, MTAP, ATIC ALDH1A1 1374/4885LMNA 4841/4885MAPT 3651/4885

“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.