SCHEMBL2274010

SCHEMBL2274010

O=c1cccnn1-c1ccc(Br)s1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HRH3 Q9Y5N1 2/20 0.30
KCNH2 Q12809 1/20 0.30
CYP2D6 P10635 1/20 0.30
GSK3B P49841 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL11996677 0.79 CA12 (0.41) CA12CA1CA2CA9MEN1
SCHEMBL11994469 0.76 CA12 (0.38) CA12CA1CA2CA9HRH3
SCHEMBL3058623 0.75 CA12 (0.40) CA12CA1CA2CA9HRH3
SCHEMBL28792402 0.71 CA12 (0.42) CA12CA1CA2CA9KMT2A
SCHEMBL4463189 0.69 ADORA2A (0.41) MEN1KMT2A
SCHEMBL29151066 0.69 CA1 (0.60) CA12CA1CA2CA9MEN1
SCHEMBL7066401 0.69 CA12 (0.41) CA12CA1CA2CA9HRH3
SCHEMBL12374262 0.68 CCNE1 (0.33) CA12CA1CA2CA9
SCHEMBL2276080 0.67 SIGMAR1 (0.37) CA12CA1CA2CA9HSD17B10
SCHEMBL3043828 0.66 CA12 (0.61) CA12CA1CA2CA9KMT2A

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 11 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
CN-102015693-B Compounds as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-29 CN 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
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

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 CA12 4784/4885CA1 4447/4885CA2 4281/4885

“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.