SCHEMBL7554258

SCHEMBL7554258

COc1cccc(C(CC2=NCCN2C(=O)OC(C)(C)C)c2ccncc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.41
ROCK1 Q13464 5/20 0.41
PRKG1 Q13976 10/20 0.40
SLC2A1 P11166 1/20 0.39
PDE4A P27815 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CHEK1 O14757 2/20 0.38
RPS6KA5 O75582 2/20 0.38
PRKCG P05129 2/20 0.38
CDK1 P06493 2/20 0.38
PRKACA P17612 2/20 0.38
RPS6KB1 P23443 2/20 0.38
CDK2 P24941 2/20 0.38
MAPK1 P28482 2/20 0.38
AKT2 P31751 2/20 0.38
GSK3A P49840 2/20 0.38

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
SCHEMBL7548092 0.74 DRD2 (0.47) MTNR1AMTNR1B
SCHEMBL7552597 0.72 DRD2 (0.46) MTNR1AMTNR1B
SCHEMBL7549457 0.72 KMT2A (0.42) SLC2A1CYP11B1CYP11B2CYP3A4CYP2D6
SCHEMBL7549956 0.72 KMT2A (0.42) SLC2A1CYP11B1CYP11B2CYP3A4CYP2D6
SCHEMBL7549453 0.72 KMT2A (0.42) SLC2A1CYP11B1CYP11B2CYP3A4CYP2D6
SCHEMBL2885762 0.69 MTNR1A (0.54) MTNR1AMTNR1B
SCHEMBL7550070 0.69 NISCH (0.60) PDE4AMTNR1AMTNR1B
SCHEMBL7547109 0.68 ALDH1A1 (0.51) MTNR1B
SCHEMBL2882501 0.68 MTNR1A (0.49) MTNR1AMTNR1BCYP3A4CYP2D6CYP2C9
SCHEMBL2882505 0.68 MTNR1A (0.49) MTNR1AMTNR1BCYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020132812-A1 Oral hypoglycaemic agents NOVO NORDISK A/S (DK) 2002-09-19 US disclosed
WO-2002038559-A1 1,3-DIAZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS ORAL HYPOGLYCAEMIC AGENTS NOVO NORDISK A/S (DK) 2002-05-16 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-20020132812-A1 Oral hypoglycaemic agents SLC5A2, GPR119, SLC5A1 ROCK2 4281/4885ROCK1 4633/4885PRKG1 2182/4885

“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.