SCHEMBL13635811

SCHEMBL13635811

c1cc(-c2cnc(C3C[C@H]4C[C@H]4N3)[nH]2)ccc1-c1ccc(-c2cnc([C@@H]3C[C@H]4C[C@H]4N3)[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
SSTR3 P32745 17/20 0.39
KCNH2 Q12809 16/20 0.39
CACNA1F O60840 2/20 0.37
CACNA1D Q01668 2/20 0.37
CACNA1S Q13698 2/20 0.37
CACNA1C Q13936 2/20 0.37

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
SCHEMBL12159997 1.00 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL754149 1.00 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL763030 1.00 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL15127692 1.00 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL15106702 1.00 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL17563566 1.00 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL10132664 0.91 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL12682652 0.91 MAPK13 (0.39) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL19488466 0.91 MAPK13 (0.39) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL12647750 0.91 PYGL (0.39) MAPK13MAPK12MAPK11MAPK14SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8303944-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8303944-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 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-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS MAPK13 3291/4885MAPK12 3437/4885MAPK11 3947/4885

“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.