SCHEMBL685406

SCHEMBL685406

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GLA P06280 1/20 0.46
NPC1 O15118 1/20 0.45
THRB P10828 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 4/20 0.40
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL679771 0.86 KDM4E (0.44) KDM4EL3MBTL1GLANPC1THRB
SCHEMBL14295160 0.84 CYP1A2 (0.44) KDM4ESMN1; SMN2CYP1A2KMT2AHSP90AA1
SCHEMBL14295093 0.80 CYP1A2 (0.42) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12188504 0.79 CYP1A2 (0.41) SMN1; SMN2ALDH1A1MAPTCYP1A2HPGD
SCHEMBL684469 0.77 CYP1A2 (0.40) ALDH1A1MAPTCYP1A2HPGDKMT2A
SCHEMBL12188508 0.77 CYP1A2 (0.45) KDM4ESMN1; SMN2ALDH1A1MAPTCYP1A2
SCHEMBL14300655 0.76 CYP1A2 (0.39) CYP1A2
SCHEMBL685188 0.75 PKM (0.41) HTTCYP1A2
SCHEMBL12188505 0.75 CYP1A2 (0.35) ALDH1A1HTTCYP1A2HPGDKMT2A
SCHEMBL16151925 0.74 L3MBTL1 (0.40) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2

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 8 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-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 (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 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-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.