SCHEMBL6402292

SCHEMBL6402292

CC(C#N)n1c(-c2nonc2N)nc2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 15/20 0.77
ROCK1 Q13464 12/20 0.77
GSK3B P49841 10/20 0.77
PRKACA P17612 7/20 0.61
HTT P42858 4/20 0.59
TP53 P04637 1/20 0.59
POLB P06746 1/20 0.59
ATM Q13315 1/20 0.59
RPS6KA5 O75582 1/20 0.58
TSHR P16473 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL1900429 0.87 RPS6KB1 (1.00) RPS6KB1ROCK1GSK3BPRKACAHTT
SCHEMBL1899584 0.85 RPS6KB1 (0.81) RPS6KB1ROCK1GSK3BPRKACAHTT
SCHEMBL6406792 0.82 RPS6KB1 (0.77) RPS6KB1ROCK1GSK3BPRKACAHTT
SCHEMBL6402367 0.82 RPS6KB1 (0.77) RPS6KB1ROCK1GSK3BPRKACAHTT
SCHEMBL14364656 0.82 RPS6KB1 (0.76) RPS6KB1ROCK1GSK3BPRKACAHTT
SCHEMBL14364639 0.81 RPS6KB1 (0.75) RPS6KB1ROCK1GSK3BPRKACAHTT
SCHEMBL1902125 0.81 RPS6KB1 (0.77) RPS6KB1ROCK1GSK3BPRKACAHTT
SCHEMBL15224943 0.81 RPS6KB1 (0.73) RPS6KB1ROCK1GSK3BPRKACAHTT
SCHEMBL14364632 0.81 RPS6KB1 (0.73) RPS6KB1ROCK1GSK3BPRKACAHTT
SCHEMBL6400111 0.81 RPS6KB1 (0.73) 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 6 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 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-20050153978-A1 Medicaments GLAXO GROUP LIMITED (GB) 2005-07-14 US disclosed
EP-1487441-A2 BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003080125-A2 BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 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 (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-20050153978-A1 Medicaments GRK1, ROCK1, GRK7 RPS6KB1 63/4885ROCK1 2/4885GSK3B 403/4885

“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.