SCHEMBL2276346

SCHEMBL2276346

Cn1cnc(-c2ccc(C3=CCNCC3)s2)n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
CDK9 P50750 6/20 0.36
HTR2C P28335 4/20 0.36
QDPR P09417 1/20 0.35
HTR6 P50406 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
Hydrochloric Acid SCHEMBL2277632 0.99 HTR2C (0.38) SIGMAR1CDK9HTR2CQDPRHTR6
SCHEMBL12374253 0.82 HRH3 (0.34) SIGMAR1CDK9HTR2CQDPRHRH3
Hydrochloric Acid SCHEMBL22160391 0.81 HTR2C (0.33) SIGMAR1CDK9HTR2CQDPRHRH3
SCHEMBL12373870 0.81 HTR2C (0.49) SIGMAR1HTR2CQDPR
Hydrochloric Acid SCHEMBL2278255 0.80 HTR2C (0.50) SIGMAR1HTR2CQDPR
Hydrochloric Acid SCHEMBL20395786 0.80 HTR2C (0.50) SIGMAR1HTR2CQDPR
SCHEMBL12879449 0.77 SIGMAR1 (0.46) SIGMAR1CDK9HTR2CQDPRHRH3
SCHEMBL12374234 0.74 HTR2C (0.39) SIGMAR1HTR2CQDPRHRH3
Hydrochloric Acid SCHEMBL2275244 0.73 HTR2C (0.40) SIGMAR1HTR2CQDPR
Hydrochloric Acid SCHEMBL18113566 0.72 ALOX5AP (0.44) SIGMAR1CDK9HTR2CQDPR

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 SIGMAR1 1297/4885CDK9 138/4885HTR2C 3854/4885

“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.