SCHEMBL9897762

SCHEMBL9897762

COCc1cnc(NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
MAPKAPK2 P49137 6/20 0.39
ATR Q13535 1/20 0.39
NAMPT P43490 2/20 0.37
SYK P43405 1/20 0.36
APLNR P35414 1/20 0.36
CYP17A1 P05093 1/20 0.36
GRIN2B Q13224 1/20 0.36
HDAC1 Q13547 1/20 0.36
PTPRB P23467 1/20 0.34

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
SCHEMBL9894703 0.86 GSK3B (0.38) GSK3BDYRK1AMAPKAPK2ATRNAMPT
SCHEMBL13323075 0.85 GSK3B (0.41) GSK3BDYRK1AMAPKAPK2ATRNAMPT
SCHEMBL16246252 0.84 GSK3B (0.41) GSK3BDYRK1AMAPKAPK2ATRNAMPT
SCHEMBL611654 0.84 GSK3B (0.40) GSK3BDYRK1AMAPKAPK2ATRNAMPT
SCHEMBL7452419 0.84 MAPKAPK2 (0.42) GSK3BDYRK1AMAPKAPK2ATRNAMPT
SCHEMBL2668927 0.84 GSK3B (0.40) GSK3BDYRK1AMAPKAPK2ATRNAMPT
SCHEMBL29934934 0.84 GSK3B (0.40) GSK3BDYRK1AMAPKAPK2ATRNAMPT
SCHEMBL27886524 0.84 MAPKAPK2 (0.40) GSK3BDYRK1AMAPKAPK2ATRNAMPT
SCHEMBL19053692 0.83 MAPKAPK2 (0.42) GSK3BDYRK1AMAPKAPK2ATRNAMPT
SCHEMBL3511299 0.83 GSK3B (0.40) GSK3BDYRK1AMAPKAPK2ATRNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 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 (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-20120149718-A1 Amido Compounds P2RX7, P2RX3, P2RX2 GSK3B 3060/4885DYRK1A 4149/4885MAPKAPK2 3004/4885

“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.