SCHEMBL1900429

SCHEMBL1900429

CC(C)n1c(-c2nonc2N)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 12/20 1.00
ROCK1 Q13464 11/20 1.00
GSK3B P49841 9/20 1.00
PRKACA P17612 7/20 0.67
HTT P42858 4/20 0.64
TP53 P04637 1/20 0.64
POLB P06746 1/20 0.64
ATM Q13315 1/20 0.64
RPS6KA5 O75582 2/20 0.64
TSHR P16473 2/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57

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
SCHEMBL1899584 0.89 RPS6KB1 (0.81) RPS6KB1ROCK1GSK3BPRKACAHTT
SCHEMBL6406792 0.87 RPS6KB1 (0.77) RPS6KB1ROCK1GSK3BPRKACAHTT
SCHEMBL6402292 0.87 RPS6KB1 (0.77) RPS6KB1ROCK1GSK3BPRKACAHTT
SCHEMBL6402367 0.87 RPS6KB1 (0.77) RPS6KB1ROCK1GSK3BPRKACAHTT
SCHEMBL14364656 0.86 RPS6KB1 (0.76) RPS6KB1ROCK1GSK3BPRKACAHTT
SCHEMBL14364639 0.86 RPS6KB1 (0.75) RPS6KB1ROCK1GSK3BPRKACAHTT
SCHEMBL15224943 0.85 RPS6KB1 (0.73) RPS6KB1ROCK1GSK3BPRKACAHTT
SCHEMBL14364632 0.85 RPS6KB1 (0.73) RPS6KB1ROCK1GSK3BPRKACAHTT
SCHEMBL6400111 0.85 RPS6KB1 (0.73) RPS6KB1ROCK1GSK3BPRKACAHTT
SCHEMBL4716589 0.83 RPS6KA5 (0.78) RPS6KB1ROCK1GSK3BPRKACAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322521-B1 Heteroaryl compounds useful as inhibitors of GSK-3 VERTEX PHARMA (US) 2013-09-04 EP claimed
EP-2322521-A1 Heteroaryl compounds useful as inhibitors of GSK-3 Vertex Pharmaceuticals, Inc. (US) 2011-05-18 EP claimed
JP-4656838-B2 2011-03-23 JP claimed
US-20070270420-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 US claimed
JP-2005526028-A 2005-09-02 JP claimed
EP-1472245-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 Vertex Pharmaceuticals Incorporated (US) 2004-11-03 EP claimed
US-20040034037-A1 Heteroaryl compounds useful as inhibitors of GSK-3 VERTEX PHARMACEUTICALS, INCORPORATED 2004-02-19 US claimed
WO-2003066629-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-08-14 WO claimed
EP-2322521-B1 Heteroaryl compounds useful as inhibitors of GSK-3 VERTEX PHARMA (US) 2013-09-04 EP disclosed
EP-2322521-A1 Heteroaryl compounds useful as inhibitors of GSK-3 Vertex Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed
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
US-20070270420-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 US disclosed
US-20040034037-A1 Heteroaryl compounds useful as inhibitors of GSK-3 VERTEX PHARMACEUTICALS, INCORPORATED 2004-02-19 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 (2 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 417/4885ROCK1 133/4885GSK3B 1/4885
US-20040034037-A1 Heteroaryl compounds useful as inhibitors of GSK-3 GSK3B, GSK3A, GSKIP RPS6KB1 417/4885ROCK1 133/4885GSK3B 1/4885

“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.