SCHEMBL17525399

SCHEMBL17525399

CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)c(C(=O)NCc3ccccc3)c2)NC(=O)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 20/20 1.00
ROCK1 Q13464 16/20 1.00
GRK5 P34947 14/20 1.00
GRK1 Q15835 6/20 1.00

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
SCHEMBL17525422 0.94 GRK2 (1.00) GRK2ROCK1GRK5GRK1
SCHEMBL23083245 0.93 GRK2 (0.86) GRK2ROCK1GRK5GRK1
SCHEMBL17525425 0.91 GRK2 (1.00) GRK2ROCK1GRK5GRK1
SCHEMBL17525424 0.91 GRK2 (1.00) GRK2ROCK1GRK5GRK1
SCHEMBL17525411 0.91 GRK2 (1.00) GRK2ROCK1GRK5GRK1
SCHEMBL17525384 0.90 GRK2 (1.00) GRK2ROCK1GRK5GRK1
SCHEMBL17525387 0.90 GRK2 (1.00) GRK2ROCK1GRK5GRK1
SCHEMBL29705818 0.90 GRK2 (1.00) GRK2ROCK1GRK5GRK1
SCHEMBL17525423 0.90 GRK2 (1.00) GRK2ROCK1GRK5GRK1
SCHEMBL29705812 0.90 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230035892-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER FLAGSHIP PIONEERING, INC. 2023-02-02 US disclosed
WO-2021046225-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-03-11 WO 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-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

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.