Sugi Predict

Sugi Predict / Compounds / SCHEMBL10270878

SCHEMBL10270878

SCHEMBL10270878

CC(C)[C@H]1CC[C@@H](C(N)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.43
▸ ROCK2 O75116 3/20 0.42
▸ ROCK1 Q13464 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ EPHX1 P07099 2/20 0.38
▸ GAA P10253 1/20 0.37
▸ OPRL1 P41146 2/20 0.36
▸ CYP2D6 P10635 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ RPS6KA5 O75582 2/20 0.33
▸ PKN2 Q16513 2/20 0.33
▸ LRRK2 Q5S007 2/20 0.33
▸ CHUK O15111 1/20 0.33
▸ PRKD3 O94806 1/20 0.33

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
SCHEMBL659048 1.00 ALOX5 (0.43) ALOX5ROCK2ROCK1SMN1; SMN2LMNA
SCHEMBL8073959 1.00 ALOX5 (0.43) ALOX5ROCK2ROCK1SMN1; SMN2LMNA
SCHEMBL6274750 0.92 LMNA (0.41) ALOX5ROCK2ROCK1SMN1; SMN2LMNA
SCHEMBL17325942 0.86 ALOX5 (0.41) ALOX5ROCK2ROCK1SMN1; SMN2LMNA
SCHEMBL6483753 0.84 ALOX5 (0.42) ALOX5ROCK2ROCK1SMN1; SMN2LMNA
SCHEMBL5146249 0.84 ROCK2 (0.46) ALOX5ROCK2ROCK1SMN1; SMN2LMNA
SCHEMBL21162320 0.82 ALOX5 (0.41) ALOX5ROCK2ROCK1SMN1; SMN2LMNA
Cyclopropanecarboxylic Acid Amide SCHEMBL6927157 0.79 SMN1; SMN2 (0.50) SMN1; SMN2LMNATDP1EPHX1GAA
SCHEMBL28418543 0.79 SMN1; SMN2 (0.50) SMN1; SMN2LMNATDP1EPHX1GAA
SCHEMBL9797557 0.79 SMN1; SMN2 (0.50) SMN1; SMN2LMNATDP1EPHX1GAA

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-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-27 — — US disclosed
US-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 — — US disclosed
US-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 — — US disclosed
WO-2012018668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2012-02-09 — — WO 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-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALOX5 3869/4885ROCK2 1541/4885ROCK1 1270/4885
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 ALOX5 3869/4885ROCK2 1541/4885ROCK1 1270/4885

“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.