SCHEMBL21393205

SCHEMBL21393205

CC(C)[C@H](C)c1cccc(CC(C)[C@H](C)c2ccc(C#N)cn2)n1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.32
▸ GRK6 P43250 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HPGDS O60760 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ EGLN2 Q96KS0 1/20 0.30
▸ GRM5 P41594 1/20 0.30
▸ KCNJ1 P48048 2/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL21393292 0.83 HSD11B1 (0.34) HSD11B1
SCHEMBL19574036 0.81 ALDH1A1 (0.43) KDM4EALDH1A1L3MBTL1HPGDSEGLN2
SCHEMBL21536492 0.71 HSD11B1 (0.35) AURKAGRK6HSD11B1
SCHEMBL2737290 0.68 ALDH1A1 (0.46) KDM4EALDH1A1L3MBTL1HPGDSHSD11B1
SCHEMBL19574035 0.67 APLNR (0.39) KDM4EALDH1A1L3MBTL1HSD11B1
SCHEMBL21122380 0.67 TRPV3 (0.32) —
SCHEMBL23006785 0.66 IRAK4 (0.38) KCNH2
SCHEMBL16311933 0.66 ALDH1A1 (0.41) AURKAGRK6KDM4EALDH1A1L3MBTL1
SCHEMBL22481395 0.65 ALDH1A1 (0.43) KDM4EALDH1A1L3MBTL1HSD11B1KCNJ1
SCHEMBL15486717 0.65 ALDH1A1 (0.43) AURKAGRK6KDM4EALDH1A1L3MBTL1

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-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2019-09-26 — — 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-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 AURKA 856/4885GRK6 161/4885KDM4E 2463/4885

“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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