SCHEMBL1204172

SCHEMBL1204172

NC(=O)c1ccccc1Nc1nc(Cl)ncc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.62
MAPK9 P45984 5/20 0.59
GSK3B P49841 4/20 0.59
MAPK8 P45983 3/20 0.59
CDC7 O00311 3/20 0.59
ROCK2 O75116 3/20 0.59
MAP4K4 O95819 3/20 0.59
PIM1 P11309 3/20 0.59
PRKACA P17612 3/20 0.59
GSK3A P49840 3/20 0.59
PLK1 P53350 2/20 0.59
DAPK3 O43293 2/20 0.59
JAK2 O60674 2/20 0.59
PRKD3 O94806 2/20 0.59
PAK4 O96013 2/20 0.59
CDK2 P24941 2/20 0.59
CSNK1A1 P48729 2/20 0.59
CLK2 P49760 2/20 0.59
MAP4K2 Q12851 2/20 0.59
STK3 Q13188 2/20 0.59

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
SCHEMBL3811561 0.89 PIN1 (0.67) PIN1MAPK9GSK3BMAPK8CDC7
SCHEMBL3814860 0.88 PIN1 (0.62) PIN1MAPK9GSK3BMAPK8CDC7
SCHEMBL2062751 0.86 PIN1 (0.59) PIN1MAPK9GSK3BMAPK8CDC7
SCHEMBL3808780 0.86 PLK1 (0.64) PIN1MAPK9GSK3BMAPK8CDC7
SCHEMBL3807294 0.86 PIN1 (0.59) PIN1MAPK9GSK3BMAPK8CDC7
SCHEMBL3812655 0.84 PIN1 (0.57) PIN1MAPK9GSK3BMAPK8CDC7
SCHEMBL13577830 0.84 MAPK9 (0.68) MAPK9GSK3BMAPK8CDC7ROCK2
SCHEMBL1202555 0.82 MAPK10 (0.68) MAPK9GSK3BMAPK8CDC7ROCK2
SCHEMBL6193458 0.82 PIN1 (0.54) PIN1MAPK9GSK3BMAPK8CDC7
SCHEMBL17194046 0.81 MAPK10 (0.52) MAPK9GSK3BMAPK8CDC7ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884098-B2 2-{[5-Fluoro-2-({3-[2-(4-morpholinyl)ethyl]phenyl}amino)-4-pyrimidinyl]amino}-N-(2-hydroxyethyl)benzamide, useful in the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-02-08 US disclosed
US-20100016318-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE SMITHKLINE BEECHAM CORPORATION (US) 2010-01-21 US disclosed
US-7625903-B2 Anticancer agent; N-(1-methylethyl)-2-[(5-methyl-2-{[3-(4-methyl-2-oxo-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)amino]benzamide SMITHKLINE BEECHAM CORPORATION (US) 2009-12-01 US disclosed
EP-2121637-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE Smithkline Beecham Corporation (US) 2009-11-25 EP disclosed
EP-1597251-B1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-06-10 EP disclosed
US-7514446-B2 Pyrimidine compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US disclosed
US-7514446-B2 Pyrimidine compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US disclosed
US-7514446-B2 Pyrimidine compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US disclosed
US-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE GLAXOSMITHKLINE LLC 2008-07-31 US disclosed
WO-2008092049-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE SMITHKLINE BEECHAM CORPORATION (US) 2008-07-31 WO disclosed
US-20070010668-A1 Pyrimidine compounds NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-01-11 US disclosed
US-20070010668-A1 Pyrimidine compounds NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-01-11 US disclosed
US-20070010668-A1 Pyrimidine compounds NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-01-11 US disclosed
EP-1597251-A2 PYRIMIDINE COMPOUNDS SmithKline Beecham Corporation (US) 2005-11-23 EP disclosed
WO-2004074244-A2 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 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 (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-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE AURKA, AURKC, AURKB PIN1 2467/4885MAPK9 348/4885GSK3B 324/4885
US-20070010668-A1 Pyrimidine compounds TYMS, TYMP, DPYD PIN1 1535/4885MAPK9 1837/4885GSK3B 2540/4885
US-20100016318-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE AURKA, AURKC, AURKB PIN1 2645/4885MAPK9 303/4885GSK3B 349/4885

“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.