SCHEMBL2276472

SCHEMBL2276472

Cn1cnc(-c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)s2)n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.47
GRM1 Q13255 11/20 0.46
GRM5 P41594 11/20 0.46
PDK4 Q16654 1/20 0.46
NAMPT P43490 1/20 0.43
KIT P10721 1/20 0.42
CDK9 P50750 1/20 0.42

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
SCHEMBL2277624 0.86 GPR119 (0.59) GPR119GRM1GRM5PDK4NAMPT
SCHEMBL12374248 0.86 GPR119 (0.46) GPR119GRM1GRM5PDK4NAMPT
SCHEMBL12892530 0.85 GRM5 (0.56) GPR119GRM1GRM5PDK4NAMPT
SCHEMBL28668463 0.81 PDK4 (0.54) GPR119GRM1GRM5PDK4NAMPT
SCHEMBL12403744 0.81 MAPK1 (0.38) CDK9
SCHEMBL2274299 0.81 GPR119 (0.52) GPR119GRM1GRM5PDK4NAMPT
SCHEMBL17146106 0.80 GPR119 (0.43) GPR119GRM1GRM5PDK4NAMPT
SCHEMBL18113695 0.79 GPR119 (0.47) GPR119GRM1GRM5PDK4NAMPT
SCHEMBL18113604 0.79 GPR119 (0.49) GPR119GRM1GRM5PDK4NAMPT
SCHEMBL19703165 0.78 PDK4 (0.53) GPR119GRM1GRM5PDK4NAMPT

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
EP-2260031-B1 COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2015-10-07 EP disclosed
EP-2260031-B1 COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2015-10-07 EP disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
WO-2009105500-A1 COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2009-08-27 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-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 GPR119 993/4885GRM1 3804/4885GRM5 4402/4885

“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.