SCHEMBL16245174

SCHEMBL16245174

CCc1c(-c2cccc(C(=O)NCCN3CCOCC3)c2)n(S(=O)(=O)c2ccc(C)cc2)c2ncc3cnn(C)c3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.44
▸ MAPK10 P53779 2/20 0.44
▸ MAPK13 O15264 1/20 0.44
▸ MAPK12 P53778 1/20 0.44
▸ MAPK11 Q15759 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ MAP4K4 O95819 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ERN1 O75460 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ CAMK2D Q13557 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GRK5 P34947 1/20 0.39
▸ ABL1 P00519 1/20 0.39

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
SCHEMBL2318630 0.92 CD274 (0.46) ALDH1A1CD274CA12CA1CA9
SCHEMBL2315139 0.85 MAPK8 (0.46) MAPK8MAPK10MAPK13MAPK12MAPK11
SCHEMBL2321835 0.80 CA12 (0.42) MAPK13MAPK12MAPK11MAPK14CA12
SCHEMBL16245259 0.79 PIK3CA (0.37) POLBSMN1; SMN2GAACYP2C9CYP2C19
SCHEMBL16245234 0.78 NR1H3 (0.36) ALDH1A1
SCHEMBL2322462 0.78 TLR9 (0.51) MAPK8MAPK10MAPK13MAPK12MAPK11
SCHEMBL2318721 0.75 MTOR (0.34) GAA
SCHEMBL2314706 0.75 POLB (0.46) POLBHTTALDH1A1CA1CA9
SCHEMBL2317311 0.73 EED (0.34) ABL1
SCHEMBL1935016 0.72 POLB (0.45) MAPK8MAPK10MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 MAPK8 1587/4885MAPK10 2687/4885MAPK13 1568/4885

“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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