SCHEMBL12727792

SCHEMBL12727792

CCc1ccc2[nH]c(=O)n(C)c2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.55
▸ LMNA P02545 1/20 0.53
▸ PGR P06401 2/20 0.50
▸ HTR1A P08908 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ DAO P14920 2/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ ADORA1 P30542 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
SCHEMBL12881773 0.87 MAOB (0.52) MAOBLMNAPGRHTR1ADRD2
SCHEMBL13675019 0.86 LMNA (0.53) MAOBLMNAPGRHTR1ADRD2
SCHEMBL3923772 0.85 MAOB (0.53) MAOBLMNAPGRHTR1ADRD2
SCHEMBL20529102 0.85 MAOB (0.53) MAOBLMNAPGRHTR1ADRD2
SCHEMBL30279787 0.85 MAOB (0.53) MAOBLMNAPGRHTR1ADRD2
SCHEMBL14582468 0.85 MAOB (0.53) MAOBLMNAPGRHTR1ADRD2
SCHEMBL12867047 0.82 MAOB (0.51) MAOBLMNAPGRHTR1ADRD2
SCHEMBL31282254 0.82 MAOB (0.51) MAOBLMNAPGRHTR1ADRD2
SCHEMBL19642918 0.82 MAOB (0.51) MAOBLMNAPGRHTR1ADRD2
SCHEMBL22493206 0.81 MAOB (0.50) MAOBLMNAPGRHTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 — — US disclosed
US-7897619-B2 Heterocyclic modulators of PKB AMGEN INC. (US) 2011-03-01 — — US disclosed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 — — US disclosed
US-20090275592-A1 Heterocyclic modulators of PKB AMGEN INC. (US) 2009-11-05 — — US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 — — US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 — — 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 (3 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-20090298836-A1 Thiadiazole modulators of PKB PDK1, PDK2, MTOR MAOB 2169/4885LMNA 4253/4885PGR 1072/4885
US-20090275592-A1 Heterocyclic modulators of PKB MTOR, PDK1, EIF4EBP1 MAOB 1562/4885LMNA 3419/4885PGR 741/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 MAOB 2482/4885LMNA 3104/4885PGR 1366/4885

“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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