SCHEMBL6401564

SCHEMBL6401564

CCN1CCCC1Cn1c(-c2nonc2N)nc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 8/20 0.67
ROCK1 Q13464 8/20 0.67
PRKACA P17612 7/20 0.67
GSK3B P49841 7/20 0.67
RPS6KA5 O75582 1/20 0.65
HTT P42858 4/20 0.60
TP53 P04637 1/20 0.57
POLB P06746 1/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 2/20 0.57
TSHR P16473 5/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL6402982 0.81 RPS6KB1 (1.00) RPS6KB1ROCK1PRKACAGSK3BRPS6KA5
SCHEMBL1901437 0.81 RPS6KB1 (1.00) RPS6KB1ROCK1PRKACAGSK3BRPS6KA5
Gw549034X SCHEMBL1900661 0.80 RPS6KA5 (1.00) RPS6KB1ROCK1PRKACAGSK3BRPS6KA5
SCHEMBL1899452 0.78 RPS6KB1 (0.78) RPS6KB1ROCK1PRKACAGSK3BRPS6KA5
SCHEMBL1901013 0.76 HTT (1.00) RPS6KB1ROCK1PRKACAGSK3BRPS6KA5
SCHEMBL1897504 0.75 RPS6KB1 (1.00) RPS6KB1ROCK1PRKACAGSK3BRPS6KA5
SCHEMBL6406327 0.74 HTT (1.00) RPS6KB1ROCK1PRKACAGSK3BRPS6KA5
SCHEMBL14364576 0.74 RPS6KB1 (0.77) RPS6KB1ROCK1PRKACAGSK3BRPS6KA5
SCHEMBL29056571 0.73 MCHR1 (0.47) HTTTP53ALDH1A1TSHRKDM4E
SCHEMBL29056686 0.73 MCHR1 (0.47) HTTTP53ALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20050153978-A1 Medicaments GRK1, ROCK1, GRK7 RPS6KB1 63/4885ROCK1 2/4885PRKACA 595/4885

“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.