SCHEMBL12374090

SCHEMBL12374090

CC(C)n1cnc(-c2ccc(C3=CCCCC3)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 4/20 0.38
P2RX3 P56373 4/20 0.34
ACMSD Q8TDX5 1/20 0.34
KDM5B Q9UGL1 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LNPEP Q9UIQ6 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
OGA O60502 1/20 0.32
KDR P35968 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL12373867 0.81 PSMB5 (0.40) PSMB5ACMSDPTGS2TDP1PDGFRB
SCHEMBL2275039 0.78 HTR2C (0.49)
SCHEMBL12374041 0.77 PSMB5 (0.38) PSMB5ACMSDPTGS2TDP1PDGFRB
SCHEMBL11996737 0.75 AHR (0.38) TDP1KCNH2NPC1RAB9A
SCHEMBL2271022 0.75 AHR (0.39) NPC1RAB9A
SCHEMBL11994460 0.73 TP53 (0.42) PTGS2NPC1RAB9A
SCHEMBL23234138 0.73 NPC1 (0.39) NPC1RAB9A
SCHEMBL12374175 0.72 KCNH2 (0.36) PSMB5ACMSDPTGS2TDP1KCNH2
SCHEMBL12374151 0.72 PSMB5 (0.34) PSMB5ACMSDLNPEPKCNH2HRH3
SCHEMBL10793933 0.70 ACMSD (0.53) PSMB5ACMSDPTGS2TDP1KCNH2

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-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

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 PSMB5 3724/4885P2RX3 4037/4885ACMSD 4659/4885

“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.