SCHEMBL15022086

SCHEMBL15022086

C[Si](C)(C)C#Cc1ccc(-c2ccnn2-c2ccncc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 3/20 0.50
▸ MAPK10 P53779 3/20 0.50
▸ MAPK8 P45983 1/20 0.50
▸ FLT3 P36888 3/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ PTGS2 P35354 3/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ MAPK14 Q16539 2/20 0.32
▸ NR3C2 P08235 1/20 0.31
▸ KDM4A O75164 1/20 0.31
▸ KDM5A P29375 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31

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
SCHEMBL15022987 0.94 MAPK9 (0.51) MAPK9MAPK10MAPK8FLT3GABRA1
SCHEMBL15022263 0.80 MAPK9 (0.54) MAPK9MAPK10MAPK8FLT3PTGS2
SCHEMBL28561226 0.76 CYP1A2 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15022076 0.74 MAPK9 (0.58) MAPK9MAPK10MAPK8FLT3PTGS2
SCHEMBL15022318 0.74 MAPK9 (0.55) MAPK9MAPK10MAPK8FLT3NR3C2
SCHEMBL15022969 0.73 MAPT (0.34) MAPK9MAPK10MAPK8FLT3GABRA1
SCHEMBL15022071 0.73 MAPK9 (0.56) MAPK9MAPK10MAPK8PTGS2MAPK14
SCHEMBL3540534 0.73 GRM5 (0.47) —
SCHEMBL15022102 0.71 CYP11B1 (0.39) MAPK9MAPK10FLT3GABRA1GABRG2
SCHEMBL2854252 0.71 CYP1A1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3

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-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 61/4885MAPK8 2561/4885

“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.

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