SCHEMBL15022288

SCHEMBL15022288

C[Si](C)(C)C#Cc1ccc(-c2ncncc2-c2ccncc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.50
MAPK10 P53779 1/20 0.50
PDE10A Q9Y233 2/20 0.39
KMT2A Q03164 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
KDM1A O60341 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
GRM5 P41594 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
SCHEMBL15022310 0.80 MAPK9 (0.55) MAPK9MAPK10PDE10AKMT2APTGS1
SCHEMBL15022089 0.75 PDE10A (0.36) MAPK9MAPK10PDE10AKDM1A
SCHEMBL15022061 0.75 PDE10A (0.36) MAPK9MAPK10PDE10AKDM1A
SCHEMBL7210230 0.74 MAPK9 (0.59) MAPK9MAPK10
SCHEMBL15023022 0.74 MAPK9 (0.59) MAPK9MAPK10KMT2APTGS1PTGS2
SCHEMBL15022077 0.74 PDE10A (0.63) PDE10A
Hydrochloric Acid SCHEMBL27503714 0.73 MAPK9 (0.57) MAPK9MAPK10
SCHEMBL15023024 0.73 MAPK9 (0.57) MAPK9MAPK10PDE10AADORA2AADORA1
SCHEMBL3540534 0.71 GRM5 (0.47) LMNAGRM5
SCHEMBL28692899 0.71 GABRA1 (0.35) GRM5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF SU ZHOU JING HONG BIOTECH CO., LTD. (CN) 2013-06-20 US disclosed
US-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF SU ZHOU JING HONG BIOTECH CO., LTD. (CN) 2013-06-20 US disclosed
US-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF SU ZHOU JING HONG BIOTECH CO., LTD. (CN) 2013-06-20 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-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF CHRNA10, ATXN10, SCN10A MAPK9 1943/4885MAPK10 61/4885PDE10A 5/4885

“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.