SCHEMBL684491

SCHEMBL684491

CC(=O)[C@H](CNCC1CC1)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.47
AKT2 P31751 2/20 0.47
AKT3 Q9Y243 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FFAR2 O15552 2/20 0.43
BRD4 O60885 1/20 0.42
CNR1 P21554 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.38
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37
CACNA1G O43497 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
SCHEMBL16131663 1.00 AKT1 (0.47) AKT1AKT2AKT3NPC1RAB9A
SCHEMBL684251 1.00 AKT1 (0.47) AKT1AKT2AKT3NPC1RAB9A
SCHEMBL191373 0.87 AKT1 (0.48) AKT1AKT2AKT3NPC1RAB9A
SCHEMBL16151886 0.87 KMT2A (0.41) AKT1AKT2AKT3NPC1RAB9A
SCHEMBL16151890 0.87 KMT2A (0.41) AKT1AKT2AKT3NPC1RAB9A
SCHEMBL191372 0.87 AKT1 (0.48) AKT1AKT2AKT3NPC1RAB9A
SCHEMBL12104048 0.86 MEN1 (0.47) AKT1AKT2AKT3NPC1RAB9A
SCHEMBL680737 0.86 AKT1 (0.46) AKT1AKT2AKT3NPC1RAB9A
SCHEMBL16885875 0.86 AKT1 (0.46) AKT1AKT2AKT3NPC1RAB9A
SCHEMBL680740 0.86 AKT1 (0.46) AKT1AKT2AKT3NPC1RAB9A

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 12 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-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 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-8846681-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 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-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 US disclosed
US-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer GENENTECH, INC. 2008-03-06 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 (7 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-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer PIK3CA, DPYD, CDK2 AKT1 33/4885AKT2 23/4885AKT3 27/4885
US-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 AKT1 1/4885AKT2 2/4885AKT3 3/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKT1 1/4885AKT2 2/4885AKT3 4/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKT1 1/4885AKT2 2/4885AKT3 4/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKT1 1/4885AKT2 2/4885AKT3 4/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKT1 1/4885AKT2 2/4885AKT3 4/4885
US-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 AKT1 3/4885AKT2 4/4885AKT3 8/4885

“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.