SCHEMBL14364652

SCHEMBL14364652

CNCC(O)Cn1c(-c2nonc2N)nc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 5/20 0.70
GSK3B P49841 5/20 0.70
ROCK1 Q13464 4/20 0.70
PRKACA P17612 3/20 0.70
RPS6KA5 O75582 1/20 0.64
HTT P42858 4/20 0.61
TP53 P04637 1/20 0.61
POLB P06746 1/20 0.61
ATM Q13315 1/20 0.61
KDM4E B2RXH2 2/20 0.59
TSHR P16473 3/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
MAPK1 P28482 1/20 0.58
KCNK13 Q9HB14 1/20 0.55
BCHE P06276 1/20 0.55

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
SCHEMBL14364678 0.88 RPS6KB1 (0.74) RPS6KB1GSK3BROCK1PRKACARPS6KA5
SCHEMBL14364651 0.86 PRKACA (0.72) RPS6KB1GSK3BROCK1PRKACARPS6KA5
SCHEMBL1897504 0.83 RPS6KB1 (1.00) RPS6KB1GSK3BROCK1PRKACARPS6KA5
SCHEMBL14364660 0.81 HTT (0.76) RPS6KB1GSK3BROCK1PRKACARPS6KA5
SCHEMBL14364584 0.79 RPS6KB1 (0.74) RPS6KB1GSK3BROCK1PRKACARPS6KA5
Gw549034X SCHEMBL1900661 0.79 RPS6KA5 (1.00) RPS6KB1GSK3BROCK1PRKACARPS6KA5
SCHEMBL5521696 0.78 KDM4E (0.75) KDM4ETSHRMAPTBCHE
SCHEMBL1902125 0.78 RPS6KB1 (0.77) RPS6KB1GSK3BROCK1PRKACARPS6KA5
SCHEMBL1899581 0.77 HTT (0.77) RPS6KB1GSK3BROCK1PRKACARPS6KA5
SCHEMBL1901013 0.77 HTT (1.00) RPS6KB1GSK3BROCK1PRKACARPS6KA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270420-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 US disclosed
US-20070270420-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 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-20070270420-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 GSK3B, GSK3A, GSKIP RPS6KB1 417/4885GSK3B 1/4885ROCK1 133/4885

“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.