SCHEMBL1202633

SCHEMBL1202633

NC(=O)c1ccccc1Nc1nc(Cl)ncc1C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.70
ROCK2 O75116 1/20 0.70
MAP4K4 O95819 1/20 0.70
PIM1 P11309 1/20 0.70
PRKACA P17612 1/20 0.70
CDK7 P50613 1/20 0.70
CDK9 P50750 1/20 0.70
HIPK2 Q9H2X6 1/20 0.70
IRAK4 Q9NWZ3 1/20 0.70
KDR P35968 1/20 0.60
AURKB Q96GD4 1/20 0.60
MAPK10 P53779 16/20 0.53
MAPK8 P45983 14/20 0.53
MAPK9 P45984 2/20 0.51

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
SCHEMBL5563903 0.88 CDC7 (0.55) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL2029526 0.86 PTK2 (0.58) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL26970244 0.85 CDC7 (0.52) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL29525943 0.85 CDC7 (0.52) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL25234152 0.85 CDC7 (0.53) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL30646195 0.85 CDC7 (0.53) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL12813038 0.85 CDC7 (0.52) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL1203456 0.84 MAPK8 (0.61) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL12879785 0.83 CDC7 (0.78) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL1202555 0.83 MAPK10 (0.68) CDC7ROCK2MAP4K4PIM1PRKACA

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 6 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CDC7 53/4885ROCK2 130/4885MAP4K4 188/4885
US-20100016318-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE AURKA, AURKC, AURKB CDC7 57/4885ROCK2 101/4885MAP4K4 245/4885

“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.