SCHEMBL5540692

SCHEMBL5540692

Brc1ccc2c(c1)[N]CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.38
ASIC3 Q9UHC3 1/20 0.38
TRPA1 O75762 1/20 0.36
PARP10 Q53GL7 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PARP1 P09874 1/20 0.35
KDM1A O60341 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CHEK2 O96017 1/20 0.33
ROS1 P08922 1/20 0.33
MARK3 P27448 1/20 0.33
LTK P29376 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
AURKB Q96GD4 1/20 0.33
PBK Q96KB5 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
SCHEMBL208137 0.88 PNMT (0.36) PNMTASIC3TRPA1PARP10TDP1
SCHEMBL1435589 0.83 PNMT (0.38) PNMTASIC3TRPA1PARP10TDP1
SCHEMBL1090905 0.74 HTR2A (0.41) PNMTPARP10PARP1KDM1AHTR2A
SCHEMBL5544221 0.74 ADRA2A (0.38) PNMTTDP2ADRA2AADRA2BADRA2C
SCHEMBL7495994 0.74 PARP10 (0.35) PARP10PARP1METAP1NPC1HPGD
SCHEMBL884168 0.74 PARP1 (0.35) PARP10PARP1KDM1AHTR2AHTR2C
SCHEMBL9404985 0.74 PBRM1 (0.39) CYP19A1CYP11B1
SCHEMBL208240 0.71 PNMT (0.36) PNMTASIC3TRPA1PARP10METAP1
SCHEMBL28118957 0.71 TRPA1 (0.38) PNMTASIC3TRPA1PARP10TDP1
SCHEMBL25940754 0.68 TRPA1 (0.36) PNMTASIC3TRPA1PARP10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888349-B1 PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2002-05-22 EP claimed
US-6140317-A AS INHIBITORS OF PROTEIN KINASES AND HAVE ANTITUMOUR ACTIVITY NOVARTIS AG (CH) 2000-10-31 US claimed
EP-0888349-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1999-01-07 EP claimed
WO-1997027199-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-07-31 WO claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-0888349-B1 PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2002-05-22 EP disclosed
US-6140317-A AS INHIBITORS OF PROTEIN KINASES AND HAVE ANTITUMOUR ACTIVITY NOVARTIS AG (CH) 2000-10-31 US disclosed
EP-0888349-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1999-01-07 EP disclosed
WO-1997027199-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-07-31 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 (1 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 PNMT 4701/4885ASIC3 211/4885TRPA1 3038/4885

“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.