Sugi Predict

Sugi Predict / Compounds / SCHEMBL684729

SCHEMBL684729

SCHEMBL684729

CC(=O)[C@H](CN1CCN(C)CC1)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 3/20 0.41
▸ PAX8 Q06710 1/20 0.40
▸ AKR1B10 O60218 1/20 0.39
▸ AKR1C4 P17516 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ NR1H2 P55055 1/20 0.38
▸ SLC6A2 P23975 4/20 0.38
▸ MAPT P10636 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ MC1R Q01726 1/20 0.38
▸ CDK2 P24941 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ AKT1 P31749 1/20 0.37

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
SCHEMBL684942 1.00 MC4R (0.41) MC4RPAX8AKR1B10AKR1C4AKR1C3
SCHEMBL2738568 0.89 MC4R (0.41) MC4RPOLBTSHRNR1H2SLC6A2
SCHEMBL2738567 0.89 MC4R (0.41) MC4RPOLBTSHRNR1H2SLC6A2
SCHEMBL684792 0.88 PAX8 (0.39) MC4RPAX8AKR1B10AKR1C4AKR1C3
SCHEMBL680194 0.88 MC4R (0.42) MC4RPOLBTSHRNR1H2SLC6A2
SCHEMBL684943 0.88 PAX8 (0.39) MC4RPAX8AKR1B10AKR1C4AKR1C3
SCHEMBL679699 0.88 MC4R (0.42) MC4RPOLBTSHRNR1H2SLC6A2
SCHEMBL12188343 0.86 AKT1 (0.40) PAX8AKR1B10AKR1C4AKR1C3AKR1C2
SCHEMBL684421 0.86 AKT1 (0.40) PAX8AKR1B10AKR1C4AKR1C3AKR1C2
SCHEMBL16151892 0.84 ALDH1A1 (0.51) MC4RPAX8POLBSLC6A2MAPT

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-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-08-18 — — US disclosed
US-8853199-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-10-07 — — US disclosed
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2012-09-13 — — 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

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-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 MC4R 3750/4885PAX8 4199/4885AKR1B10 971/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 MC4R 3860/4885PAX8 4208/4885AKR1B10 970/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 MC4R 3860/4885PAX8 4208/4885AKR1B10 970/4885

“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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