SCHEMBL20113554

SCHEMBL20113554

CNC(=O)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 1.00
ROCK1 Q13464 5/20 0.71
MAPK13 O15264 1/20 0.70
RPS6KA5 O75582 1/20 0.70
MAP4K4 O95819 1/20 0.70
PAK4 O96013 1/20 0.70
PRKCG P05129 1/20 0.70
CDK1 P06493 1/20 0.70
PRKACA P17612 1/20 0.70
RPS6KB1 P23443 1/20 0.70
CDK2 P24941 1/20 0.70
MAPK1 P28482 1/20 0.70
AKT1 P31749 1/20 0.70
AKT2 P31751 1/20 0.70
CLK2 P49760 1/20 0.70
GSK3A P49840 1/20 0.70
GSK3B P49841 1/20 0.70
IRAK1 P51617 1/20 0.70
RPS6KA3 P51812 1/20 0.70
PRKX P51817 1/20 0.70

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
SCHEMBL20113299 0.91 ROCK2 (1.00) ROCK2ROCK1MAPK13RPS6KA5MAP4K4
SCHEMBL20113323 0.88 ROCK2 (0.79) ROCK2ROCK1MAPK13RPS6KA5MAP4K4
SCHEMBL20113553 0.86 ROCK2 (1.00) ROCK2ROCK1MAPK13RPS6KA5MAP4K4
SCHEMBL23005777 0.85 ROCK2 (0.83) ROCK2ROCK1
SCHEMBL21257010 0.85 ROCK2 (0.77) ROCK2ROCK1MAPK13RPS6KA5MAP4K4
SCHEMBL20113272 0.85 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20113326 0.84 ROCK2 (1.00) ROCK2ROCK1MAPK13RPS6KA5MAP4K4
SCHEMBL20113302 0.84 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL21256982 0.83 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20113350 0.83 ROCK2 (1.00) ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024039883-A2 COMPOSITIONS AND METHODS TO TREAT MYELOPROLIFERATIVE DISORDERS AND MYELOPROLIFERATIVE NEOPLASMS TRANSLATIONAL DRUG DEVELOPMENT LLC (US) 2024-02-22 WO disclosed
EP-3532479-B1 AMIDE COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEV LLC (US) 2023-06-07 EP disclosed
US-20230143583-A1 AMIDE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS AND METHODS OF TREATMENT TRANSLATIONAL DRUG DEVELOPMENT, LLC 2023-05-11 US disclosed
US-20230143583-A1 AMIDE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS AND METHODS OF TREATMENT TRANSLATIONAL DRUG DEVELOPMENT, LLC 2023-05-11 US disclosed
US-20210047335-A1 AMIDE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS AND METHODS OF TREATMENT TRANSLATIONAL DRUG DEVELOPMENT LLC 2021-02-18 US disclosed
US-10738007-B2 Amide compounds as kinase inhibitors, compositions and methods of treatment Translation Drug Development, LLC (US) 2020-08-11 US disclosed
WO-2020142745-A1 METHODS OF TREATING GRAFT VERSUS HOST DISEASE AND NEOPLASTIC DISEASE WITH AMIDE COMPOUNDS TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2020-07-09 WO disclosed
US-20190248744-A1 AMIDE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS AND METHODS OF TREATMENT TRANSLATIONAL DRUG DEVELOPMENT, LLC 2019-08-15 US disclosed
WO-2018081108-A1 AMIDE COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2018-05-03 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 (4 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-20230143583-A1 AMIDE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS AND METHODS OF TREATMENT ROCK1, ROCK2, ARHGDIB ROCK2 2/4885ROCK1 1/4885MAPK13 185/4885
US-20190248744-A1 AMIDE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS AND METHODS OF TREATMENT ARHGDIB, ROCK2, ROCK1 ROCK2 2/4885ROCK1 3/4885MAPK13 166/4885
US-20210047335-A1 AMIDE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS AND METHODS OF TREATMENT ROCK1, ROCK2, ARHGDIB ROCK2 2/4885ROCK1 1/4885MAPK13 185/4885
US-10738007-B2 Amide compounds as kinase inhibitors, compositions and methods of treatment ARHGDIB, ROCK2, ROCK1 ROCK2 2/4885ROCK1 3/4885MAPK13 166/4885

“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.