SCHEMBL259676

SCHEMBL259676

CC1(OCc2ccccc2)C(CC#N)OC(COCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.36
NT5E P21589 1/20 0.34
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
CTSK P43235 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
TACR2 P21452 2/20 0.33
GJB2 P29033 1/20 0.33
SSTR1 P30872 1/20 0.33
SSTR2 P30874 1/20 0.33
SSTR4 P31391 1/20 0.33
SSTR3 P32745 1/20 0.33
SSTR5 P35346 1/20 0.33
PDE4D Q08499 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 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
SCHEMBL264600 1.00 HTR1A (0.36) HTR1ANT5ECTSLCTSBCTSK
SCHEMBL259089 0.84 HTR1A (0.35) HTR1ANT5ECTSLCTSBCTSK
SCHEMBL264608 0.84 HTR1A (0.35) HTR1ANT5ECTSLCTSBCTSK
SCHEMBL12253790 0.83 HTR1A (0.37) HTR1ANT5ETACR2GJB2SSTR1
SCHEMBL14453213 0.82 HTR1A (0.38) HTR1ANT5ETACR2GJB2SSTR1
SCHEMBL13650055 0.82 HTR1A (0.38) HTR1ANT5ETACR2GJB2SSTR1
SCHEMBL13695333 0.80 PDE4D (0.40) HTR1ANT5ETACR2GJB2SSTR1
SCHEMBL3174043 0.80 PDE4D (0.40) HTR1ANT5ETACR2GJB2SSTR1
SCHEMBL259838 0.80 PDE4D (0.40) HTR1ANT5ETACR2GJB2SSTR1
SCHEMBL16756812 0.80 PDE4D (0.40) HTR1ANT5ETACR2GJB2SSTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344132-B2 Methods for the preparation of 9-deazapurine derivatives BioCryst Pharmaceticals, Inc. (US) 2013-01-01 US disclosed
US-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-8133870-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2012-03-13 US disclosed
US-20100093991-A1 METHODS FOR THE PREPARATION OF 9-DEAZAPURINE DERIVATIVES BIO CRYST PHARMACEUTICALS , INC. (US) 2010-04-15 US disclosed
US-20080300200-A1 Therapeutic Furopyrimidines and Thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-12-04 US disclosed
US-7429571-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
EP-1814561-A2 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES Biocryst Pharmaceuticals, Inc. (US) 2007-08-08 EP disclosed
US-20060165655-A1 Therapeutic furopyrimidines and thienopyrimidines WILMINGTON TRUST, NATIONAL ASSOCIATION 2006-07-27 US disclosed
WO-2006050161-A2 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES BIOCRYST PHARMACEUTICALS, INC. (US) 2006-05-11 WO 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 (4 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-20080300200-A1 Therapeutic Furopyrimidines and Thienopyrimidines DPYD, TYMP, TYMS HTR1A 4285/4885NT5E 170/4885CTSL 4034/4885
US-20100093991-A1 METHODS FOR THE PREPARATION OF 9-DEAZAPURINE DERIVATIVES DPYD, TYMP, UNG HTR1A 2378/4885NT5E 179/4885CTSL 2428/4885
US-20060165655-A1 Therapeutic furopyrimidines and thienopyrimidines DPYD, TYMP, TYMS HTR1A 4285/4885NT5E 170/4885CTSL 4034/4885
US-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES DPYD, TYMP, TYMS HTR1A 4285/4885NT5E 170/4885CTSL 4034/4885

“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.