SCHEMBL4531351

SCHEMBL4531351

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nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
GALR3 O60755 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.34
PRKCA P17252 3/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
HRH1 P35367 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
TRPV1 Q8NER1 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
SCHEMBL10818796 0.82 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL408993 0.80 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9193563 0.77 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL3387966 0.75 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL3392585 0.75 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
Alcohol SCHEMBL2877736 0.74 LMNA (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL18209588 0.73 ALOX15 (0.35) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL18209590 0.73 ALOX15 (0.35) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9756898 0.73
SCHEMBL50343 0.73

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-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 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 (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-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, PNPO, TPMT TSHR 4264/4885CHRM2 4464/4885CHRM4 4602/4885

“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.