SCHEMBL3664077

SCHEMBL3664077

CCC1CCC(N)=C1C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.34
HSD17B10 Q99714 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FFAR3 O14843 1/20 0.33
PTGER4 P35408 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 3/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
CRBN Q96SW2 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL29127877 0.76 KDM4E (0.36) HSD17B10ALDH1A1HPGDTSHRNPSR1
SCHEMBL30033393 0.75 MTOR (0.42) ADORA3HSD17B10ALDH1A1HPGDTSHR
SCHEMBL3664775 0.71 KDM4E (0.33) HSD17B10ALDH1A1HPGDTSHRFFAR3
SCHEMBL30032846 0.68 MTOR (0.39) HSD17B10ALDH1A1HPGDTSHRMEN1
SCHEMBL516443 0.65 NOS3 (0.35)
SCHEMBL680908 0.64 KDM4E (0.49) HSD17B10ALDH1A1HPGDTSHRMEN1
SCHEMBL12323920 0.64 KDM4E (0.49) HSD17B10ALDH1A1HPGDTSHRMEN1
SCHEMBL4026489 0.63 HCAR2 (0.33) ALDH1A1
SCHEMBL15586501 0.62 SLC6A3 (0.46) HSD17B10TSHRNPSR1LMNATP53
SCHEMBL21556381 0.62 ALDH1A1 (0.41) HSD17B10ALDH1A1TSHRMEN1KMT2A

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-9346805-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-05-24 US disclosed
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-03-21 US disclosed
EP-2240483-B1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2013-02-27 EP disclosed
US-8324221-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-03 US disclosed
EP-2240483-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-20 EP disclosed
WO-2009089454-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 WO 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 (2 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-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, PIK3CA ADORA3 3244/4885HSD17B10 1667/4885ALDH1A1 2944/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 ADORA3 2955/4885HSD17B10 1784/4885ALDH1A1 2929/4885

“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.