SCHEMBL684792

SCHEMBL684792

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ MC4R P32245 2/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ PDE2A O00408 6/20 0.38
▸ AKR1B10 O60218 1/20 0.38
▸ AKR1C4 P17516 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ FFAR1 O14842 2/20 0.36
▸ EPHX2 P34913 2/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ AKT2 P31751 1/20 0.36
▸ AKT3 Q9Y243 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ TRPV1 Q8NER1 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
SCHEMBL684943 1.00 PAX8 (0.39) PAX8MAPK1MC4RCDK2PDE2A
SCHEMBL2738553 0.90 PDE2A (0.38) MAPK1MC4RCDK2PDE2AFFAR1
SCHEMBL2738510 0.90 PDE2A (0.38) MAPK1MC4RCDK2PDE2AFFAR1
SCHEMBL679705 0.90 PDE2A (0.39) MAPK1MC4RCDK2PDE2AFFAR1
SCHEMBL680794 0.90 PDE2A (0.39) MAPK1MC4RCDK2PDE2AFFAR1
SCHEMBL684729 0.88 MC4R (0.41) PAX8MAPK1MC4RCDK2AKR1B10
SCHEMBL684942 0.88 MC4R (0.41) PAX8MAPK1MC4RCDK2AKR1B10
SCHEMBL8225734 0.85 RPS6KB1 (0.38) MAPK1MC4RCDK2PDE2AAKT1
SCHEMBL12188343 0.84 AKT1 (0.40) PAX8MAPK1PDE2AAKR1B10AKR1C4
SCHEMBL684421 0.84 AKT1 (0.40) PAX8MAPK1PDE2AAKR1B10AKR1C4

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-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-08-18 — — US disclosed
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 — — US disclosed
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. 2016-06-02 — — US disclosed
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 — — 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-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 — — 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 PAX8 4199/4885MAPK1 92/4885MC4R 3750/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PAX8 4208/4885MAPK1 82/4885MC4R 3860/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PAX8 4208/4885MAPK1 82/4885MC4R 3860/4885

“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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