SCHEMBL2215941

SCHEMBL2215941

Brc1ccc(-c2nn[nH]n2)s1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
PBRM1 Q86U86 1/20 0.46
ADH5 P11766 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
USP2 O75604 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
GPR35 Q9HC97 2/20 0.41
RPA1 P27694 1/20 0.40
MAP3K8 P41279 1/20 0.40
PTK2 Q05397 1/20 0.40
IDO1 P14902 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LDHA P00338 1/20 0.38
MGAT2 Q10469 1/20 0.37

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
SCHEMBL13113384 0.77 RPA1 (0.48) ATMADH5MEN1ALDH1A1KMT2A
SCHEMBL15422384 0.77 MAPT (0.45) MEN1ALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL1236194 0.73 ATM (0.44) ATMPBRM1ADH5MEN1ALDH1A1
SCHEMBL957255 0.73 CDC7 (0.49) ATMADH5MEN1ALDH1A1KMT2A
SCHEMBL29400863 0.72 MAPT (0.50) MEN1ALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL197157 0.68 SNCA (0.50) MEN1ALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL7865703 0.67 HDAC1 (0.52) MEN1ALDH1A1KMT2AL3MBTL1GAA
SCHEMBL5453288 0.66 SNCA (0.48) MEN1ALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL5889177 0.66 SNCA (0.48) MEN1ALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL5889194 0.66 SNCA (0.48) MEN1ALDH1A1KMT2AL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA R&D (SE) 2011-07-21 US disclosed
US-20100286211-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2010-11-11 US disclosed
EP-2178876-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL AstraZeneca AB (SE) 2010-04-28 EP disclosed
CN-101687871-A Spiro condensed barbituric acid derivatives for use as antibacterial ASTRAZENECA UK LTD 2010-03-31 CN disclosed
WO-2009010801-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA UK LIMITED (GB) 2009-01-22 WO disclosed
EP-1799677-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS Ranbaxy Laboratories Limited (IN) 2007-06-27 EP disclosed
WO-2006038100-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2006-04-13 WO disclosed
US-20050267054-A1 Antibacterial compounds with improved pharmacokinetic profiles CLARK RICHARD F 2005-12-01 US disclosed
EP-1501845-A1 ANTIBACTERIAL COMPOUNDS WITH IMPROVED PHARMACOKINETIC PROFILES Abbott Laboratories (US) 2005-02-02 EP disclosed
US-20040033970-A1 Antibacterial compounds with improved pharmacokinetic profiles ABBOTT LABORATORIES 2004-02-19 US disclosed
WO-2003093288-A1 ANTIBACTERIAL COMPOUNDS WITH IMPROVED PHARMACOKINETIC PROFILES ABBOTT LABORATORIES (US) 2003-11-13 WO disclosed
US-20030207820-A1 Antibacterial compounds with improved pharmacokinetic profiles ABBOTT LABORATORIES 2003-11-06 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 (5 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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL TBCA, TUBA1A, BROX ATM 3314/4885PBRM1 1766/4885ADH5 1237/4885
US-20050267054-A1 Antibacterial compounds with improved pharmacokinetic profiles ABCB11, SLC10A2, SI ATM 4504/4885PBRM1 4328/4885ADH5 1663/4885
US-20100286211-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS OXA1L, PDK4, MLYCD ATM 1904/4885PBRM1 825/4885ADH5 531/4885
US-20030207820-A1 Antibacterial compounds with improved pharmacokinetic profiles UGT1A1, ABCB11, SLC10A1 ATM 4689/4885PBRM1 3428/4885ADH5 1941/4885
US-20040033970-A1 Antibacterial compounds with improved pharmacokinetic profiles UGT1A1, ABCB11, SLC10A1 ATM 4689/4885PBRM1 3428/4885ADH5 1941/4885

“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.