SCHEMBL3305536

SCHEMBL3305536

O=Cc1ccc(C2=NC3(CCCC3)NC2=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.68
TSHR P16473 1/20 0.66
NEK2 P51955 8/20 0.47
AURKA O14965 1/20 0.46
CDK1 P06493 1/20 0.46
PLK1 P53350 1/20 0.46
NEK7 Q8TDX7 1/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3314734 0.98 TSHR (0.68) POLBTSHRNEK2AURKACDK1
SCHEMBL3576095 0.81 POLB (0.72) POLBTSHRNEK2AURKACDK1
SCHEMBL4514851 0.81 POLB (0.72) POLBTSHRNEK2AURKACDK1
SCHEMBL8085658 0.81 POLB (0.72) POLBTSHRNEK2AURKACDK1
SCHEMBL12911751 0.81 POLB (0.72) POLBTSHRNEK2AURKACDK1
SCHEMBL951124 0.80 TSHR (0.72) POLBTSHRNEK2AURKACDK1
SCHEMBL3306850 0.80 TSHR (0.72) POLBTSHRNEK2AURKACDK1
SCHEMBL13059638 0.80 TSHR (0.72) POLBTSHRNEK2AURKACDK1
SCHEMBL4598371 0.80 TSHR (0.72) POLBTSHRNEK2AURKACDK1
SCHEMBL13272812 0.80 TSHR (1.00) POLBTSHRNEK2AURKACDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113545-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS COULTON STEVEN 2010-05-06 US disclosed
US-20100113545-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS COULTON STEVEN 2010-05-06 US disclosed
US-20100113545-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS COULTON STEVEN 2010-05-06 US disclosed
EP-2121622-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS Glaxo Group Limited (GB) 2009-11-25 EP disclosed
WO-2008092872-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 WO disclosed
WO-2008092872-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 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 (1 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-20100113545-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SLC18A2, SLC6A5, SLC6A2 POLB 4461/4885TSHR 1553/4885NEK2 4039/4885

“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.