SCHEMBL3365162

SCHEMBL3365162

C[C@@]1(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1c1coc2c(N)ncnc12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 3/20 0.38
PDE2A O00408 2/20 0.34
ATG7 O95352 1/20 0.32
DOT1L Q8TEK3 2/20 0.31
NT5E P21589 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
HTR1A P08908 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
SCHEMBL264531 0.90 BCHE (0.34) HSPA5PDE2ANT5EHTR1A
SCHEMBL13843313 0.83 ADORA2A (0.37) HSPA5ATG7
SCHEMBL13847083 0.83 ADORA2A (0.37) HSPA5ATG7
SCHEMBL264654 0.83 TACR2 (0.32) NT5EHTR1A
SCHEMBL12261148 0.80 HSPA5 (0.40) HSPA5PDE2AATG7DOT1LTAAR1
SCHEMBL3363398 0.78 NT5E (0.32) NT5ETAAR1HTR1A
SCHEMBL261244 0.78 NT5E (0.32) NT5ETAAR1HTR1A
SCHEMBL260539 0.78 NT5E (0.32) NT5EHTR1A
SCHEMBL260030 0.77 NT5E (0.35) NT5E
SCHEMBL12365501 0.76 HSPA5 (0.37) HSPA5PDE2AATG7DOT1LTAAR1

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-8344132-B2 Methods for the preparation of 9-deazapurine derivatives BioCryst Pharmaceticals, Inc. (US) 2013-01-01 US disclosed
US-8344132-B2 Methods for the preparation of 9-deazapurine derivatives BioCryst Pharmaceticals, Inc. (US) 2013-01-01 US disclosed
US-20100093991-A1 METHODS FOR THE PREPARATION OF 9-DEAZAPURINE DERIVATIVES BIO CRYST PHARMACEUTICALS , INC. (US) 2010-04-15 US disclosed
US-20100093991-A1 METHODS FOR THE PREPARATION OF 9-DEAZAPURINE DERIVATIVES BIO CRYST PHARMACEUTICALS , INC. (US) 2010-04-15 US disclosed
EP-1893625-A2 METHODS FOR THE PREPARATION OF 9-DEAZAPURINE DERIVATIVES Biocryst Pharmaceuticals, Inc. (US) 2008-03-05 EP disclosed
WO-2007002191-A2 METHODS FOR THE PREPARATION OF 9-DEAZAPURINE DERIVATIVES BIOCRYST PHARMACEUTICALS, INC. (US) 2007-01-04 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 (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-20100093991-A1 METHODS FOR THE PREPARATION OF 9-DEAZAPURINE DERIVATIVES DPYD, TYMP, UNG HSPA5 2687/4885PDE2A 1844/4885ATG7 2160/4885

“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.