SCHEMBL536689

SCHEMBL536689

Nc1nc(O)c([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TLR9 Q9NR96 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GFER P55789 2/20 0.34
TSHR P16473 2/20 0.33
GRIN2D O15399 1/20 0.33

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
SCHEMBL6480654 0.87 TDP1 (0.40) TDP1MAPTHTTMEN1KMT2A
SCHEMBL9871854 0.85 ALDH1A1 (0.39) HSP90AA1HSP90AB1TDP1ALDH1A1NPC1
SCHEMBL8057951 0.82 MEN1 (0.35) TDP1ALDH1A1MEN1KMT2AGFER
SCHEMBL27500630 0.82 MGMT (0.43) TDP1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL16297625 0.82 KMT2A (0.35) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL29484712 0.82 MGMT (0.43) TDP1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL28629831 0.80 TDP1 (0.36) TDP1MAPTHTTMEN1KMT2A
SCHEMBL29419371 0.80 TDP1 (0.36) TDP1MAPTHTTMEN1KMT2A
SCHEMBL3955746 0.79 MGMT (0.44) ALDH1A1NPC1LMNATP53MAPT
SCHEMBL9125919 0.78 MEN1 (0.37) TDP1ALDH1A1NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101863842-B Entecavir midbodies and synthesis method JIANGSU CHIATAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2012-02-01 CN claimed
CN-101863842-A Entecavir midbodies and synthesis method BRIGHTGENE BIO MEDICAL TECHNOLOGY CO LTD 2010-10-20 CN claimed
CN-101130542-B Synthesis of antiviral nucleoside analogues JIANGSU CHIA TAI TIANQING PHAR 2010-08-04 CN claimed
EP-0452729-B1 Process for preparing substituted cyclobutanes BRISTOL MYERS SQUIBB CO (US) 1995-07-12 EP claimed
US-5235052-A PROCESS FOR PREPARING SUBSTITUTED CYCLOBUTANE PURINES BRISTOL-MYERS SQUIBB COMPANY (US) 1993-08-10 US claimed
EP-0452729-A1 Process for preparing substituted cyclobutanes BRISTOL-MYERS SQUIBB COMPANY (US) 1991-10-23 EP claimed
EP-0138995-B1 REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES South Alabama Medical Science Foundation (US) 1991-08-14 EP claimed
EP-0138995-A4 REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES. UNIV SOUTH ALABAMA (US) 1988-05-10 EP claimed
EP-0178178-A2 Purine derivatives WARNER-LAMBERT COMPANY (US) 1986-04-16 EP claimed
EP-0138995-A1 REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES. UNIV SOUTH ALABAMA (US) 1985-05-02 EP claimed
WO-1984004040-A1 REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES UNIV SOUTH ALABAMA (US) 1984-10-25 WO claimed
JP-7033749-A None JP disclosed
US-20230100842-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS LIGAND UK DEVELOPMENT LIMITED (GB) 2023-03-30 US disclosed
US-11466019-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2022-10-11 US disclosed
US-20210115054-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2021-04-22 US disclosed
EP-0138995-A4 REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES. UNIV SOUTH ALABAMA (US) 1988-05-10 EP disclosed
EP-0178178-A2 Purine derivatives WARNER-LAMBERT COMPANY (US) 1986-04-16 EP disclosed
EP-0156559-A2 8-Substituted guanine derivatives WARNER-LAMBERT COMPANY (US) 1985-10-02 EP disclosed
EP-0138995-A1 REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES. UNIV SOUTH ALABAMA (US) 1985-05-02 EP disclosed
WO-1984004040-A1 REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES UNIV SOUTH ALABAMA (US) 1984-10-25 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-20210115054-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 HSP90AA1 4216/4885HSP90AB1 4268/4885TDP1 405/4885
US-11466019-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists P2RX5, P2RY1, P2RX3 HSP90AA1 4216/4885HSP90AB1 4268/4885TDP1 405/4885
US-20230100842-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 HSP90AA1 4216/4885HSP90AB1 4268/4885TDP1 405/4885

“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.