SCHEMBL1092203

SCHEMBL1092203

CNCc1cn(C)c2c(Cl)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.43
▸ CDK2 P24941 1/20 0.42
▸ GPR84 Q9NQS5 1/20 0.39
▸ SLC6A4 P31645 5/20 0.37
▸ SLC6A2 P23975 3/20 0.37
▸ SLC6A3 Q01959 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ IFNAR1 P17181 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ PTPN11 Q06124 1/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SLC5A2 P31639 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
SCHEMBL1092687 0.82 PTGS2 (0.41) PTGS2CDK2GPR84KMT2AMEN1
SCHEMBL1093791 0.81 PTGS2 (0.40) PTGS2GPR84SLC6A4SLC6A2KMT2A
SCHEMBL1093363 0.81 PTGS2 (0.61) PTGS2GPR84MAPTCA2IFNAR1
SCHEMBL6100110 0.80 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3IFNAR1TAAR1
SCHEMBL20588288 0.80 PNMT (0.46) PTGS2CDK2GPR84TAAR1PTPN11
SCHEMBL1093476 0.78 CNR2 (0.44) PTGS2SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL28386992 0.75 MEN1 (0.38) PTGS2CDK2KMT2AMEN1PTPN11
SCHEMBL11066673 0.74 PTGS2 (0.43) PTGS2CDK2GPR84KMT2AMEN1
SCHEMBL1093107 0.74 GPR84 (0.42) CDK2GPR84SLC6A4SLC6A2SLC6A3
SCHEMBL1093038 0.74 NR4A2 (0.47) PTGS2KMT2AMEN1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153652-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-04-10 — — US disclosed
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 — — US disclosed
US-20110098277-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-04-28 — — US disclosed
US-7879872-B2 comprising (E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide or pharmaceutically acceptable salts thereof; and gentamicin; wherein combination has an fractional inhibitory coconcentration index value of 0.3 against S. aureus 29213 AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-02-01 — — US disclosed
US-7741339-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2010-06-22 — — US disclosed
US-20090221699-A1 E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. DEBIOPHARM INTERNATIONAL SA (CH) 2009-09-03 — — US disclosed
EP-1560584-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2009-01-14 — — EP disclosed
EP-1608377-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARM INC (CA) 2008-10-01 — — EP disclosed
US-7250424-B2 E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-07-31 — — US disclosed
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-06-29 — — US disclosed
US-20060116394-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2006-06-01 — — US disclosed
US-7049310-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-05-23 — — US disclosed
EP-1608377-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS Affinium Pharmaceuticals, Inc. (CA) 2005-12-28 — — EP disclosed
EP-1560584-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2005-10-12 — — EP disclosed
EP-1560584-A2 FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2005-08-10 — — EP disclosed
WO-2004082586-A2 PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARMACEUTICALS, INC. (US) 2004-09-30 — — WO disclosed
US-20040147580-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2004-07-29 — — US disclosed
WO-2003088897-A2 FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2003-10-30 — — 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 (6 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-20090221699-A1 E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. ACR, NANP, MDN1 PTGS2 1670/4885CDK2 2431/4885GPR84 4469/4885
US-20060116394-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI2 PTGS2 3617/4885CDK2 3077/4885GPR84 3676/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF PTGS2 3169/4885CDK2 1785/4885GPR84 4560/4885
US-20040147580-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI1 PTGS2 3655/4885CDK2 2862/4885GPR84 3818/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF PTGS2 3169/4885CDK2 1785/4885GPR84 4560/4885
US-20110098277-A1 Fab I Inhibitors SERPINB1, TMBIM6, GDI2 PTGS2 3617/4885CDK2 3077/4885GPR84 3676/4885

“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.

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