SCHEMBL7032434

SCHEMBL7032434

[Li]C[Si](C)(C)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.39
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
CHRNB2 P17787 4/20 0.38
CHRNA4 P43681 4/20 0.38
CYP2D6 P10635 1/20 0.36
CHRNA7 P36544 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2012822 0.79 CHRNA7 (0.44) CYP2A6CYP1A2ALDH1A1CYP3A4CHRNB2
SCHEMBL8983925 0.79 CYP2A6 (0.39) CYP2A6CYP1A2ALDH1A1CYP3A4CHRNB2
SCHEMBL2009313 0.76 CHRNA7 (0.46) CYP2A6CYP1A2ALDH1A1CYP3A4CHRNB2
SCHEMBL29505165 0.75 CYP2A6 (0.48) CYP2A6CYP1A2ALDH1A1CYP3A4CHRNB2
SCHEMBL2180224 0.75 CYP2A6 (0.48) CYP2A6CYP1A2ALDH1A1CYP3A4CHRNB2
SCHEMBL7033564 0.75 MAPT (0.44) LMNATP53MAPT
SCHEMBL10479669 0.71 CYP2A6 (0.44) CYP2A6CYP1A2ALDH1A1CYP3A4CHRNB2
SCHEMBL10479554 0.71 CYP2A6 (0.44) CYP2A6CYP1A2ALDH1A1CYP3A4CHRNB2
SCHEMBL10479743 0.70 ALDH1A1 (0.42) CYP2A6CYP1A2ALDH1A1CYP3A4CHRNB2
SCHEMBL9138633 0.70 ESR1 (0.50) CYP2A6CYP1A2ALDH1A1CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030139600-A1 2-pyridylsilane, processes for producing and using the same SUMITOMO CHEMICAL CO., LTD. 2003-07-24 US disclosed
US-6548673-B1 Alkylation using transition metal complex catalyst; purified by acid/base extraction SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-15 US disclosed
US-6531602-B2 Desilylation of a 2-pyridylsilane to form an alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-11 US disclosed
US-20020165397-A1 2-Pyridylsilane, processes for producing and using the same SUMITOMO CHEMICAL CO., LTD. 2002-11-07 US disclosed
EP-1035125-A2 2-Pyridylsilane, processes for producing and using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-09-13 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-20020165397-A1 2-Pyridylsilane, processes for producing and using the same H1-0, RIOK2, H1-4 CYP2A6 1139/4885CYP1A2 363/4885ALDH1A1 497/4885
US-20030139600-A1 2-pyridylsilane, processes for producing and using the same H1-0, H1-4, H1-2 CYP2A6 1185/4885CYP1A2 390/4885ALDH1A1 479/4885

“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.