SCHEMBL6795553

SCHEMBL6795553

N#CCC(O)(C#N)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 3/20 0.35
AHR P35869 2/20 0.34
CHRM3 P20309 1/20 0.33
FDPS P14324 1/20 0.33
ALOX15 P16050 2/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
PGR P06401 1/20 0.32
THRB P10828 1/20 0.32
ADRB3 P13945 1/20 0.32
OPRK1 P41145 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 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
SCHEMBL11412213 0.76 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1KDM4EALDH1A1GAA
SCHEMBL10616220 0.74 L3MBTL1 (0.31) L3MBTL1
SCHEMBL13342069 0.73 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1KDM4EALDH1A1GAA
SCHEMBL14859517 0.73 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1KDM4EALDH1A1GAA
SCHEMBL2068478 0.73 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1KDM4EALDH1A1GAA
SCHEMBL8610666 0.72 ATM (0.39) SMN1; SMN2ALDH1A1MEN1KMT2ACHRM3
SCHEMBL21246245 0.71 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1KDM4EALDH1A1GAA
SCHEMBL7474039 0.70 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1KDM4EALDH1A1GAA
SCHEMBL25233915 0.69 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL18293530 0.69 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6784295-B2 CARRIED OUT IN THE PRESENCE OF AN INORGANIC BASE OR ORGANIC NITROGEN BASE AND A PALLADIUM COMPLEX CATALYST CONTAINING SECONDARY MONOPHOSPHINES WITH ALIPHATIC, BRANCHED OR CYCLIC SUBSTITUENTS AS LIGANDS SOLVIAS AG (CH) 2004-08-31 US disclosed
US-20030181688-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds INDOLESE ADRIANO (CH) 2003-09-25 US disclosed
EP-1132361-B1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds SOLVIAS AG (CH) 2003-05-14 EP disclosed
US-6548684-B2 Using monophosphine palladium complex catalyst SOLVIAS AG (SE) 2003-04-15 US disclosed
US-20010037042-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds SOLVIAS AG (CH) 2001-11-01 US disclosed
EP-1132361-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds Solvias AG (CH) 2001-09-12 EP 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 (2 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-20010037042-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds ADH1C, ALKBH3, PNMT SMN1; SMN2 2522/4885L3MBTL1 458/4885KDM4E 2133/4885
US-20030181688-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds ADH1C, ALKBH3, PNMT SMN1; SMN2 2522/4885L3MBTL1 458/4885KDM4E 2133/4885

“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.