SCHEMBL6748885

SCHEMBL6748885

[C-]#[N+]C(O[Si](C)(C)C)c1ccc(CC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
CYP17A1 P05093 1/20 0.33
HPGD P15428 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
TP53 P04637 1/20 0.32
CYP2A6 P11509 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
ALDH1A1 P00352 3/20 0.31
NOTUM Q6P988 1/20 0.30
MAPT P10636 2/20 0.30
HTT P42858 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL6748628 0.76 CA1 (0.42) L3MBTL1TDP1TSHRMAPK1CYP17A1
SCHEMBL1789024 0.71 CYP2A6 (0.41) L3MBTL1TDP1TSHRMAPK1ATM
SCHEMBL4697867 0.71 L3MBTL1 (0.39) L3MBTL1TDP1TSHRMAPK1ATM
SCHEMBL8750465 0.67 TSHR (0.50) L3MBTL1TDP1TSHRMAPK1ATM
SCHEMBL2491929 0.65 TSHR (0.58) L3MBTL1TDP1TSHRMAPK1ATM
SCHEMBL29262161 0.64 L3MBTL1 (0.57) L3MBTL1TDP1TSHRMAPK1ATM
SCHEMBL36295 0.64 TP53 (0.67) L3MBTL1TDP1TSHRMAPK1ATM
SCHEMBL500563 0.64 TSHR (0.56) L3MBTL1TDP1TSHRMAPK1ATM
SCHEMBL139408 0.64 L3MBTL1 (0.56) L3MBTL1TDP1TSHRMAPK1ATM
SCHEMBL9008790 0.63 TDP1 (0.50) L3MBTL1TDP1TSHRMAPK1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 US disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 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 (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-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, TK2, TPMT L3MBTL1 2536/4885TDP1 238/4885TSHR 3922/4885
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, PNPO, TPMT L3MBTL1 2842/4885TDP1 230/4885TSHR 4264/4885

“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.