SCHEMBL13853014

SCHEMBL13853014

Cc1ccccc1-c1nc(NCCNC(N)=NC#N)nc2c1ccc(=O)n2-c1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 4/20 0.38
▸ MAPK12 P53778 4/20 0.38
▸ MAPK11 Q15759 4/20 0.38
▸ MAPK14 Q16539 4/20 0.38
▸ KCNH2 Q12809 1/20 0.33
▸ PDE7A Q13946 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
SCHEMBL13853009 0.92 MAPK14 (0.41) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL13853019 0.88 MAPK14 (0.48) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL13853015 0.86 MAPK13 (0.35) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4183318 0.85 MAPK13 (0.35) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4183313 0.85 MAPK13 (0.36) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4172336 0.84 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL13853008 0.82 MAPK14 (0.42) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL13853010 0.81 MAPK14 (0.41) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL13853012 0.81 MAPK14 (0.40) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL13853007 0.81 MAPK14 (0.38) MAPK13MAPK12MAPK11MAPK14KCNH2

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 MAPK13 51/4885MAPK12 39/4885MAPK11 77/4885
US-20090137550-A1 Novel Compounds MAPKAPK2, CREBBP, MAPK8 MAPK13 51/4885MAPK12 39/4885MAPK11 77/4885

“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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