SCHEMBL12168564

SCHEMBL12168564

Cc1ccc([C@@H](CNCC2CC2)C(=O)C(C)C)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
AKT3 Q9Y243 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPK14 Q16539 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.37
ABL1 P00519 1/20 0.36
TP53 P04637 1/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C1 Q04828 1/20 0.35
FAAH O00519 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
SCHEMBL17803806 0.88 LMNA (0.37) LMNAKMT2AMEN1SMN1; SMN2HTT
SCHEMBL680820 0.87 AKT1 (0.38) KMT2AMEN1AKT1AKT2AKT3
SCHEMBL681289 0.87 AKT1 (0.38) KMT2AMEN1AKT1AKT2AKT3
SCHEMBL16263182 0.87 AKT1 (0.38) KMT2AMEN1AKT1AKT2AKT3
SCHEMBL12188438 0.87 AKT1 (0.38) AKT1AKT2AKT3MAPK14FAAH
SCHEMBL12168566 0.85 KMT2A (0.41) LMNAKMT2AHTTAKT1AKT2
SCHEMBL680763 0.85 AKT1 (0.51) AKT1AKT2AKT3
SCHEMBL16151929 0.83 L3MBTL1 (0.45) LMNAKMT2AMEN1SMN1; SMN2HTT
SCHEMBL680761 0.82 EPHX1 (0.40) KMT2AMEN1AKT1AKT2AKT3
SCHEMBL681015 0.82 EPHX2 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 US disclosed
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-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2012-09-13 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 (5 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 LMNA 3606/4885KMT2A 1785/4885MEN1 1888/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 LMNA 3606/4885KMT2A 1884/4885MEN1 1677/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 LMNA 3606/4885KMT2A 1884/4885MEN1 1677/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 LMNA 3606/4885KMT2A 1884/4885MEN1 1677/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 LMNA 3606/4885KMT2A 1884/4885MEN1 1677/4885

“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.