SCHEMBL13239781

SCHEMBL13239781

COCCC(CCOC)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 14/20 0.82
▸ MAPK8 P45983 10/20 0.82
▸ MAPK11 Q15759 4/20 0.82
▸ MAPK9 P45984 3/20 0.82
▸ MAPK10 P53779 3/20 0.82
▸ RPS6KA4 O75676 2/20 0.82
▸ RPS6KA3 P51812 2/20 0.82
▸ NLK Q9UBE8 2/20 0.82
▸ CSNK1E P49674 1/20 0.82
▸ MAPK13 O15264 1/20 0.63
▸ MAPK12 P53778 1/20 0.63
▸ GAK O14976 1/20 0.62
▸ PRKD3 O94806 1/20 0.62
▸ MAP4K4 O95819 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ CSNK1D P48730 1/20 0.62
▸ DDR1 Q08345 1/20 0.62
▸ TAOK1 Q7L7X3 1/20 0.62
▸ COQ8A Q8NI60 1/20 0.62
▸ PRKD2 Q9BZL6 1/20 0.62

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
Pamapimod SCHEMBL29429421 0.90 MAPK14 (1.00) MAPK14MAPK8MAPK11MAPK9MAPK10
Pamapimod SCHEMBL29379723 0.90 MAPK14 (1.00) MAPK14MAPK8MAPK11MAPK9MAPK10
Pamapimod SCHEMBL3636701 0.90 MAPK14 (1.00) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL14014497 0.88 MAPK14 (0.79) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL13239772 0.86 MAPK14 (0.93) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL2943312 0.86 MAPK14 (0.64) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL2943315 0.86 MAPK14 (0.64) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL14014670 0.86 MAPK14 (0.88) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL13239789 0.86 MAPK14 (1.00) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL13239775 0.83 MAPK14 (0.84) MAPK14MAPK8MAPK11MAPK9MAPK10

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-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-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

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

For each of this compound's patents that has machine-readable text (1 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 MAPK14 39/4885MAPK8 7/4885MAPK11 42/4885

“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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