SCHEMBL1613373

SCHEMBL1613373

Nc1cccc([N+](=O)[O-])c1C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
CA2 P00918 3/20 0.49
CA1 P00915 1/20 0.49
KDM4A O75164 1/20 0.48
PTPN1 P18031 1/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.45
AGTR2 P50052 1/20 0.44
ITGA4 P13612 2/20 0.44
MME P08473 1/20 0.44
GPR132 Q9UNW8 1/20 0.44
ACE P12821 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ITGB1 P05556 1/20 0.43
ITGB7 P26010 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL1612002 0.89 ATM (0.51) L3MBTL1CA2CA1
SCHEMBL27695345 0.88 ALDH1A1 (0.50) L3MBTL1KDM4AMMEGPR132
SCHEMBL1612910 0.86 L3MBTL1 (0.69) L3MBTL1CA2CA1PTPN1NAALAD2
SCHEMBL28611563 0.81 CTSD (0.56) L3MBTL1CA2CA1KDM4APTPN1
SCHEMBL13555269 0.76 KDM4A (0.49) L3MBTL1KDM4AITGA4MMEKMT2A
SCHEMBL4001531 0.75 L3MBTL1 (0.57) L3MBTL1CA2CA1PTPN1NAALAD2
SCHEMBL9489744 0.75 L3MBTL1 (0.57) L3MBTL1CA2CA1PTPN1NAALAD2
SCHEMBL4001530 0.75 L3MBTL1 (0.57) L3MBTL1CA2CA1PTPN1NAALAD2
SCHEMBL15145381 0.74 L3MBTL1 (0.71) L3MBTL1CA2CA1PTPN1NAALAD2
SCHEMBL7442014 0.74 CA2 (0.74) CA2CA1PTPN1ACEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781640-B1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 EP disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
CN-101044137-A 2,4-di(aminophenyl)pyrimidine derivatives as plk inhibitors BOEHRINGER INGELHEIM INT (DE) 2007-09-26 CN disclosed
EP-1781640-A1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-05-09 EP disclosed
US-20060148800-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 US disclosed
WO-2006021544-A1 2,4-DI(AMINOPHENYL) PYRIMIDINES AS PLK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-02 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 (4 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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP L3MBTL1 849/4885CA2 4604/4885CA1 4848/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP L3MBTL1 849/4885CA2 4604/4885CA1 4848/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP L3MBTL1 849/4885CA2 4604/4885CA1 4848/4885
US-20060148800-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP L3MBTL1 849/4885CA2 4604/4885CA1 4848/4885

“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.