SCHEMBL1909072

SCHEMBL1909072

CC(C)(C)OC(=O)N1CC2(C1)c1[nH]c3c(c1C(=O)NC21CC1)CCc1cnc(-c2ccc(OCCN4CCOCC4)cc2)cc1-3

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 18/20 0.63
RET P07949 1/20 0.38
KDM1A O60341 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL1909096 0.90 MAPKAPK2 (0.75) MAPKAPK2
SCHEMBL1909074 0.88 MAPKAPK2 (0.64) MAPKAPK2RET
SCHEMBL1909018 0.88 MAPKAPK2 (0.73) MAPKAPK2
SCHEMBL1909051 0.82 MAPKAPK2 (0.57) MAPKAPK2
SCHEMBL1909308 0.80 MAPKAPK2 (0.60) MAPKAPK2
SCHEMBL1908848 0.79 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL1909221 0.78 MAPKAPK2 (1.00) MAPKAPK2
SCHEMBL1909070 0.77 MAPKAPK2 (0.76) MAPKAPK2
SCHEMBL1908930 0.77 MAPKAPK2 (1.00) MAPKAPK2
SCHEMBL1909285 0.76 MAPKAPK2 (0.71) MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 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-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885RET 993/4885KDM1A 3020/4885

“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.