SCHEMBL20113558

SCHEMBL20113558

O=C(COc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1)NC1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 1.00
ROCK1 Q13464 12/20 1.00
CYP3A4 P08684 4/20 0.68
CYP2D6 P10635 4/20 0.68
CYP2C9 P11712 4/20 0.68
PRKACA P17612 3/20 0.64
PRKX P51817 3/20 0.64
GSK3A P49840 2/20 0.64
GSK3B P49841 2/20 0.64
CLK4 Q9HAZ1 2/20 0.64
PRKCQ Q04759 2/20 0.64
AURKA O14965 1/20 0.54
MAPK14 Q16539 1/20 0.54
RPS6KA5 O75582 1/20 0.54
MAP4K4 O95819 1/20 0.54
PRKCG P05129 1/20 0.54
RPS6KB1 P23443 1/20 0.54
MAPK1 P28482 1/20 0.54
AKT1 P31749 1/20 0.54
PRKCD Q05655 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
SCHEMBL20113592 0.84 ROCK2 (0.78) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL25718947 0.82 ROCK2 (0.70) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL20113556 0.81 ROCK2 (1.00) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL20113329 0.80 ROCK2 (1.00) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL20113746 0.80 ROCK2 (0.80) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL1584297 0.79 ROCK2 (1.00) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL20113314 0.79 ROCK2 (0.68) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL25719565 0.79 ROCK2 (0.68) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL25719478 0.78 ROCK2 (0.67) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL25719042 0.77 ROCK2 (0.79) ROCK2ROCK1CYP3A4CYP2D6CYP2C9

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 1/4885CYP3A4 4383/4885
US-20190248744-A1 AMIDE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS AND METHODS OF TREATMENT ARHGDIB, ROCK2, ROCK1 ROCK2 2/4885ROCK1 3/4885CYP3A4 4512/4885
US-20210047335-A1 AMIDE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS AND METHODS OF TREATMENT ROCK1, ROCK2, ARHGDIB ROCK2 2/4885ROCK1 1/4885CYP3A4 4383/4885
US-10738007-B2 Amide compounds as kinase inhibitors, compositions and methods of treatment ARHGDIB, ROCK2, ROCK1 ROCK2 2/4885ROCK1 3/4885CYP3A4 4512/4885

“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.