SCHEMBL17508772

SCHEMBL17508772

CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)c(C(=O)O)c2)NC(=O)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 20/20 1.00
ROCK1 Q13464 13/20 1.00
GRK5 P34947 14/20 0.79
GRK1 Q15835 4/20 0.79
RPS6KB1 P23443 1/20 0.77
RPS6KA1 Q15418 1/20 0.77

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
SCHEMBL17525385 0.92 GRK2 (1.00) GRK2ROCK1GRK5GRK1RPS6KB1
SCHEMBL2567101 0.91 GRK2 (0.84) GRK2ROCK1GRK5GRK1RPS6KB1
SCHEMBL2567227 0.90 GRK2 (0.81) GRK2ROCK1GRK5GRK1RPS6KB1
SCHEMBL2568612 0.89 GRK2 (0.81) GRK2ROCK1GRK5GRK1RPS6KB1
SCHEMBL2566311 0.89 GRK2 (0.80) GRK2ROCK1GRK5GRK1RPS6KB1
SCHEMBL17525399 0.88 GRK2 (1.00) GRK2ROCK1GRK5GRK1
SCHEMBL17525401 0.87 GRK2 (0.78) GRK2ROCK1GRK5GRK1RPS6KB1
Gsk-180736A SCHEMBL2569804 0.87 GRK2 (1.00) GRK2ROCK1GRK5GRK1RPS6KB1
Gsk-180736A SCHEMBL29431133 0.87 GRK2 (1.00) GRK2ROCK1GRK5GRK1RPS6KB1
SCHEMBL17525424 0.87 GRK2 (1.00) GRK2ROCK1GRK5GRK1

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
US-10023564-B2 G protein-coupled receptor kinase 2 inhibitors and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-07-17 US disclosed
US-10023564-B2 G protein-coupled receptor kinase 2 inhibitors and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-07-17 US disclosed
US-20170240538-A1 G PROTEIN-COUPLED RECEPTOR KINASE 2 INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-08-24 US disclosed
US-20170240538-A1 G PROTEIN-COUPLED RECEPTOR KINASE 2 INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-08-24 US disclosed
WO-2016023028-A2 G PROTEIN-COUPLED RECEPTOR KINASE 2 INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-02-11 WO disclosed
WO-2016023028-A2 G PROTEIN-COUPLED RECEPTOR KINASE 2 INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-02-11 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-10023564-B2 G protein-coupled receptor kinase 2 inhibitors and methods for use of the same GRK2, GRK4, GRK5 GRK2 1/4885ROCK1 349/4885GRK5 3/4885
US-20170240538-A1 G PROTEIN-COUPLED RECEPTOR KINASE 2 INHIBITORS AND METHODS FOR USE OF THE SAME GRK2, GRK4, GRK5 GRK2 1/4885ROCK1 349/4885GRK5 3/4885

“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.