SCHEMBL6406324

SCHEMBL6406324

CCn1c(-c2nonc2N)nc2cc(F)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 11/20 1.00
KCNK13 Q9HB14 2/20 0.70
ROCK1 Q13464 4/20 0.69
RPS6KB1 P23443 2/20 0.69
PRKACA P17612 1/20 0.69
GSK3B P49841 1/20 0.69
CDK2 P24941 1/20 0.65
DYRK1A Q13627 1/20 0.65
RPS6KA1 Q15418 1/20 0.65
HTT P42858 4/20 0.58
TSHR P16473 2/20 0.58
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
TP53 P04637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 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
Gw785404X SCHEMBL6401849 0.90 RPS6KA5 (1.00) RPS6KA5KCNK13ROCK1RPS6KB1PRKACA
SCHEMBL6402388 0.85 RPS6KA5 (0.74) RPS6KA5ROCK1RPS6KB1PRKACAGSK3B
SCHEMBL6402221 0.85 RPS6KA5 (1.00) RPS6KA5ROCK1RPS6KB1PRKACAGSK3B
SCHEMBL6406834 0.83 RPS6KA5 (1.00) RPS6KA5ROCK1RPS6KB1PRKACAGSK3B
SCHEMBL6400820 0.83 RPS6KA5 (1.00) RPS6KA5KCNK13ROCK1RPS6KB1PRKACA
SCHEMBL26921966 0.82 KCNK13 (1.00) RPS6KA5KCNK13ROCK1RPS6KB1CDK2
SCHEMBL29995264 0.82 KCNK13 (1.00) RPS6KA5KCNK13ROCK1RPS6KB1CDK2
SCHEMBL6406786 0.82 RPS6KA5 (0.69) RPS6KA5KCNK13ROCK1RPS6KB1PRKACA
Gw549034X SCHEMBL1900661 0.82 RPS6KA5 (1.00) RPS6KA5KCNK13ROCK1RPS6KB1PRKACA
SCHEMBL29995996 0.82 KCNK13 (0.78) RPS6KA5KCNK13DYRK1AHTTTSHR

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 RPS6KA5 74/4885KCNK13 1529/4885ROCK1 2/4885

“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.