Sugi Predict

Sugi Predict / Compounds / SCHEMBL681229

SCHEMBL681229

SCHEMBL681229

CC(C)NC[C@@H](C(=O)C(C)C)c1ccc(F)c(OC(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 1/20 0.38
▸ KCNN4 O15554 4/20 0.37
▸ PDE2A O00408 7/20 0.36
▸ SLC22A3 O75751 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ EPHX2 P34913 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ BLM P54132 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL680781 0.91 PDE2A (0.47) CACNA1HPDE2AEPHX2
SCHEMBL12188490 0.89 KCNN4 (0.38) CACNA1HKCNN4PDE2ASLC22A3IDO1
SCHEMBL2739078 0.88 KCNN4 (0.39) CACNA1HKCNN4PDE2ASLC22A3IDO1
SCHEMBL681741 0.88 KCNN4 (0.37) CACNA1HKCNN4PDE2ASLC22A3IDO1
SCHEMBL681430 0.87 MAPK1 (0.42) CACNA1HSLC22A3EPHX2MAPTMAPK1
SCHEMBL12168552 0.86 SLC22A3 (0.47) CACNA1HSLC22A3ADRB2
SCHEMBL680927 0.82 PDPK1 (0.44) CACNA1HKDM4EPOLBMAPTBLM
SCHEMBL680756 0.81 AKT1 (0.47) KDM4EPOLBMAPTBLMTDP1
SCHEMBL679630 0.81 ALDH1A1 (0.46) PDE2AEPHX2POLBADRB2TP53
SCHEMBL12168527 0.80 ADRB2 (0.39) KDM4EPOLBMAPTBLMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-11-05 — — US disclosed
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 — — US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 — — US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 — — US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 — — 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-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 CACNA1H 4866/4885KCNN4 4496/4885PDE2A 1813/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 CACNA1H 4866/4885KCNN4 4496/4885PDE2A 1813/4885
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 CACNA1H 4866/4885KCNN4 4496/4885PDE2A 1813/4885

“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.