SCHEMBL2279679

SCHEMBL2279679

CC(C)(O)Cn1cnc(-c2ccc(C3=CCNCC3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.43
HTR2C P28335 6/20 0.40
SIGMAR1 Q99720 2/20 0.40
KHK P50053 5/20 0.35
NAMPT P43490 1/20 0.34

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
SCHEMBL2278717 0.84 HTR2C (0.45) QDPRHTR2CSIGMAR1KHK
Hydrochloric Acid SCHEMBL2276107 0.83 HTR2C (0.47) QDPRHTR2CSIGMAR1KHK
SCHEMBL12374178 0.81 QDPR (0.47) QDPRHTR2CSIGMAR1KHKNAMPT
SCHEMBL12374151 0.81 PSMB5 (0.34)
Hydrochloric Acid SCHEMBL18113593 0.81 QDPR (0.46) QDPRHTR2CSIGMAR1KHKNAMPT
Hydrochloric Acid SCHEMBL28497020 0.79 HTR2C (0.44) QDPRHTR2CSIGMAR1KHKNAMPT
SCHEMBL13748989 0.79 HDAC1 (0.30)
SCHEMBL12373870 0.77 HTR2C (0.49) QDPRHTR2CSIGMAR1KHK
SCHEMBL11996746 0.76 RAB9A (0.36)
Hydrochloric Acid SCHEMBL20395786 0.76 HTR2C (0.50) QDPRHTR2CSIGMAR1KHK

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-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
EP-2260031-A1 COMPOUNDS THAT ARE ERK INHIBITORS Schering Corporation (US) 2010-12-15 EP disclosed
WO-2009105500-A1 COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2009-08-27 WO 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 QDPR 598/4885HTR2C 3854/4885SIGMAR1 1297/4885

“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.