SCHEMBL679771

SCHEMBL679771

COCCNCC[C@@H](C(=O)C(C)C)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
THRB P10828 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.36
ALOX5 P09917 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
SCHEMBL685406 0.86 KDM4E (0.46) KDM4EL3MBTL1GLASMN1; SMN2NPC1
SCHEMBL681054 0.85 CYP1A2 (0.38) KDM4ESMN1; SMN2ALDH1A1KMT2AHSP90AA1
SCHEMBL681278 0.85 HDAC3 (0.40) SMN1; SMN2RAB9AALDH1A1KMT2AHSP90AA1
SCHEMBL681355 0.82 CYP1A2 (0.38) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL681056 0.80 ALOX5 (0.42) SMN1; SMN2ALDH1A1MAPTHTTHPGD
SCHEMBL681357 0.79 CYP1A2 (0.40) KDM4ESMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL681405 0.78 ALOX5 (0.38) SMN1; SMN2ALDH1A1MAPTHPGDKMT2A
SCHEMBL681364 0.77 CYP1A2 (0.34) CYP1A2ALOX5
SCHEMBL20277822 0.77 CYP1A2 (0.34) SMN1; SMN2ALDH1A1HTTKMT2AHSP90AA1
SCHEMBL680831 0.76 PKM (0.39) SMN1; SMN2HTTKMT2ACYP1A2ALOX5

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 9 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
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 (6 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 KDM4E 1624/4885L3MBTL1 2443/4885GLA 4372/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 KDM4E 1647/4885L3MBTL1 2493/4885GLA 4470/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 KDM4E 1647/4885L3MBTL1 2493/4885GLA 4470/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 KDM4E 1647/4885L3MBTL1 2493/4885GLA 4470/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 KDM4E 1647/4885L3MBTL1 2493/4885GLA 4470/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 KDM4E 1647/4885L3MBTL1 2493/4885GLA 4470/4885

“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.