SCHEMBL13239786

SCHEMBL13239786

Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 10/20 1.00
MAPK14 Q16539 12/20 0.76
GAK O14976 1/20 0.75
RPS6KA4 O75676 1/20 0.75
PRKD3 O94806 1/20 0.75
MAP4K4 O95819 1/20 0.75
MAPK1 P28482 1/20 0.75
MAPK9 P45984 1/20 0.75
CSNK1D P48730 1/20 0.75
RPS6KA3 P51812 1/20 0.75
MAPK10 P53779 1/20 0.75
DDR1 Q08345 1/20 0.75
MAPK11 Q15759 1/20 0.75
TAOK1 Q7L7X3 1/20 0.75
COQ8A Q8NI60 1/20 0.75
PRKD2 Q9BZL6 1/20 0.75
STK36 Q9NRP7 1/20 0.75
NLK Q9UBE8 1/20 0.75

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
SCHEMBL29594519 0.92 MAPK8 (0.86) MAPK8MAPK14GAKRPS6KA4PRKD3
SCHEMBL5114177 0.92 MAPK8 (0.86) MAPK8MAPK14GAKRPS6KA4PRKD3
SCHEMBL14014578 0.90 MAPK8 (0.81) MAPK8MAPK14GAKRPS6KA4PRKD3
SCHEMBL14014607 0.89 MAPK8 (1.00) MAPK8MAPK14GAKRPS6KA4PRKD3
SCHEMBL14014581 0.87 MAPK8 (0.78) MAPK8MAPK14GAKRPS6KA4PRKD3
SCHEMBL5120920 0.86 MAPK8 (0.76) MAPK8MAPK14GAKRPS6KA4PRKD3
SCHEMBL29594287 0.86 MAPK8 (0.76) MAPK8MAPK14GAKRPS6KA4PRKD3
SCHEMBL5108470 0.86 MAPK8 (0.84) MAPK8MAPK14GAKRPS6KA4PRKD3
R-1487 SCHEMBL5120612 0.86 MAPK14 (1.00) MAPK8MAPK14GAKRPS6KA4PRKD3
SCHEMBL14014642 0.86 MAPK14 (1.00) MAPK8MAPK14GAKRPS6KA4PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750016-B2 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones ROCHE PALO ALTO LLC (US) 2010-07-06 US disclosed
US-7750016-B2 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones ROCHE PALO ALTO LLC (US) 2010-07-06 US disclosed
US-7449581-B2 6-Substituted pyrido-pyrimidines POCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-7449581-B2 6-Substituted pyrido-pyrimidines POCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-20080119497-A1 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones ROCHE PALO ALTO LLC 2008-05-22 US disclosed
US-20080119497-A1 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones ROCHE PALO ALTO LLC 2008-05-22 US disclosed
US-7348331-B2 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones ROCHE PALO ALTO LLC (US) 2008-03-25 US disclosed
US-7348331-B2 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones ROCHE PALO ALTO LLC (US) 2008-03-25 US disclosed
US-20070135458-A1 6-Substituted pyrido-pyrimidines CHEN JIAN J 2007-06-14 US disclosed
US-20070135458-A1 6-Substituted pyrido-pyrimidines CHEN JIAN J 2007-06-14 US disclosed
US-7169794-B2 6-substituted pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2007-01-30 US disclosed
US-7169794-B2 6-substituted pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2007-01-30 US 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-20080119497-A1 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones MAPK1, MAPK7, MAPK6 MAPK8 7/4885MAPK14 39/4885GAK 1103/4885
US-20070135458-A1 6-Substituted pyrido-pyrimidines P2RX6, P2RX1, P2RX7 MAPK8 3523/4885MAPK14 4250/4885GAK 1034/4885

“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.