SCHEMBL13853008

SCHEMBL13853008

CNC(=NC#N)NCCNc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.42
▸ MAPK13 O15264 5/20 0.42
▸ MAPK12 P53778 5/20 0.42
▸ MAPK11 Q15759 5/20 0.42
▸ KCNH2 Q12809 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.32
▸ CTSA P10619 1/20 0.30

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
SCHEMBL13853010 0.93 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL13853009 0.90 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4174246 0.88 MAPK13 (0.39) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4174248 0.88 MAPK13 (0.39) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4181956 0.88 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4181959 0.88 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL10204364 0.87 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL13853007 0.87 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5567807 0.86 MAPK13 (0.41) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL6335657 0.85 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137550-A1 Novel Compounds GLAXO GROUP LIMITED 2009-05-28 — — US disclosed
US-20090005401-A1 Novel Compounds GLAXO GROUP LIMITED 2009-01-01 — — US disclosed
US-7423042-B2 Compounds GLAXO GROUP LIMITED (GB) 2008-09-09 — — 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-20090005401-A1 Novel Compounds MAPKAPK2, CREBBP, MAPK8 MAPK14 53/4885MAPK13 51/4885MAPK12 39/4885
US-20090137550-A1 Novel Compounds MAPKAPK2, CREBBP, MAPK8 MAPK14 53/4885MAPK13 51/4885MAPK12 39/4885

“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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