SCHEMBL1756997

SCHEMBL1756997

O=C(Nc1ccccc1)Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.77
SLC29A1 Q99808 3/20 0.77
LMNA P02545 2/20 0.77
TSHR P16473 2/20 0.77
NFKB1 P19838 2/20 0.77
THPO P40225 2/20 0.77
ALDH1A1 P00352 1/20 0.77
GLA P06280 1/20 0.77
PMP22 Q01453 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
NPC1 O15118 1/20 0.77
NPY1R P25929 1/20 0.77
HTT P42858 1/20 0.77
NPY2R P49146 1/20 0.77
RAB9A P51151 1/20 0.77
RXFP1 Q9HBX9 1/20 0.77
CYP1A2 P05177 1/20 0.77
MAPK1 P28482 1/20 0.77
CYP2C19 P33261 1/20 0.77
P2RY12 Q9H244 2/20 0.76

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
SCHEMBL8373726 0.89 ADORA3 (0.69) BMPR1BSLC29A1LMNATSHRNFKB1
SCHEMBL8373729 0.89 ADORA3 (0.69) BMPR1BSLC29A1LMNATSHRNFKB1
SCHEMBL29501810 0.89 SLC29A1 (0.69) BMPR1BSLC29A1LMNATSHRNFKB1
SCHEMBL13302978 0.87 BMPR1B (1.00) BMPR1BSLC29A1LMNATSHRNFKB1
SCHEMBL13325770 0.87 BMPR1B (1.00) BMPR1BSLC29A1LMNATSHRNFKB1
SCHEMBL6909853 0.87 LMNA (0.72) SLC29A1LMNATSHRNFKB1THPO
SCHEMBL17301042 0.87 LMNA (0.72) SLC29A1LMNATSHRNFKB1THPO
SCHEMBL17889837 0.87 LMNA (0.72) SLC29A1LMNATSHRNFKB1THPO
SCHEMBL233209 0.87 LMNA (0.72) SLC29A1LMNATSHRNFKB1THPO
SCHEMBL21953578 0.87 LMNA (0.72) SLC29A1LMNATSHRNFKB1THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943760-B2 Non-nucleotide composition for inhibiting platelet aggregation INSPIRE PHARMACEUTICALS, INC. (US) 2011-05-17 US disclosed
US-20100197913-A1 NON-NUCLEOTIDE COMPOSITION FOR INHIBITING PLATELET AGGREGATION PLOURDE JR ROBERT 2010-08-05 US disclosed
US-7749980-B2 Non-nucleotide compositions and method for treating pain INSPIRE PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-7749981-B2 Drug-eluting stents coated with non-nucleotide P2Y12 receptor antagonist compound INSPIRE PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
EP-1685135-B1 TETRAHYDRO-FURO[3,4-d]DIOXOLE COMPOUNDS AND COMPOSITIONS AND METHOD FOR INHIBITING PLATELET AGGREGATION INSPIRE PHARMACEUTICALS INC (US) 2010-05-26 EP disclosed
US-7592445-B2 Non-nucleotide composition and method for inhibiting platelet aggregation INSPIRE PHARMACEUTICALS, INC. (US) 2009-09-22 US disclosed
EP-1943261-A2 DRUG-ELUTING STENTS COATED WITH NON-NUCLEOTIDE P2Y12 RECEPTOR ANTAGONIST COMPOUND Inspire Pharmaceuticals, Inc. (US) 2008-07-16 EP disclosed
US-7368438-B2 Non-nucleotide compositions and method for inhibiting platelet aggregation INSPIRE PHARMACEUTICALS, INC. (US) 2008-05-06 US disclosed
US-20080103304-A1 NON-NUCLEOTIDE COMPOSITION AND METHOD FOR INHIBITING PLATELET AGGREGATION PLOURDE ROBERT JR 2008-05-01 US disclosed
US-7335648-B2 Non-nucleotide composition and method for inhibiting platelet aggregation INSPIRE PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
EP-1883637-A2 NON-NUCLEOTIDE COMPOSITION AND METHOD FOR INHIBITING PLATELET AGGREGATION Inspire Pharmaceuticals, Inc. (US) 2008-02-06 EP disclosed
US-20070123544-A1 Non-nucleotide compositions and method for treating pain INSPIRE PHARMACEUTICALS, INC. 2007-05-31 US disclosed
WO-2007056217-A2 DRUG-ELUTING STENTS COATED WITH NON-NUCLEOTIDE P2Y12 RECEPTOR ANTAGONIST COMPOUND INSPIRE PHARMACEUTICALS, INC. (US) 2007-05-18 WO disclosed
WO-2006119507-A2 NON-NUCLEOTIDE COMPOSITION AND METHOD FOR INHIBITING PLATELET AGGREGATION INSPIRE PHARMACEUTICALS, INC. (US) 2006-11-09 WO disclosed
EP-1685135-A1 TETRAHYDRO-FURO¬3,4-D|DIOXOLE COMPOUNDS AND COMPOSITIONS AND METHOD FOR INHIBITING PLATELET AGGREGATION Inspire Pharmaceuticals, Inc. (US) 2006-08-02 EP disclosed
US-20060121086-A1 Drug-eluting stents coated with non-nucleotide P2Y12 receptor antagonist compound INSPIRE PHARMACEUTICALS, INC. 2006-06-08 US disclosed
US-20050267134-A1 Non-nucleotide composition and method for inhibiting platelet aggregation INSPIRE PHARMACEUTICALS, INC. 2005-12-01 US disclosed
US-20050159388-A1 Non-nucleotide compositions and method for inhibiting platelet aggregation INSPIRE PHARMACEUTICALS, INC. 2005-07-21 US disclosed
WO-2005040174-A1 TETRAHYDRO-FURO`3,4-D!DIOXOLE COMPOUNDS AND COMPOSITIONS AND METHOD FOR INHIBITING PLATELET AGGREGATION INSPIRE PHARMACEUTICALS, INC. (US) 2005-05-06 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 (6 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-20080103304-A1 NON-NUCLEOTIDE COMPOSITION AND METHOD FOR INHIBITING PLATELET AGGREGATION P2RY12, P2RY11, P2RY13 BMPR1B 2540/4885SLC29A1 172/4885LMNA 1834/4885
US-20050267134-A1 Non-nucleotide composition and method for inhibiting platelet aggregation P2RY12, P2RY11, P2RY13 BMPR1B 2286/4885SLC29A1 157/4885LMNA 1785/4885
US-20100197913-A1 NON-NUCLEOTIDE COMPOSITION FOR INHIBITING PLATELET AGGREGATION P2RY12, P2RY13, P2RY11 BMPR1B 2502/4885SLC29A1 163/4885LMNA 1977/4885
US-20070123544-A1 Non-nucleotide compositions and method for treating pain P2RX3, P2RX5, P2RX1 BMPR1B 1652/4885SLC29A1 141/4885LMNA 2063/4885
US-20050159388-A1 Non-nucleotide compositions and method for inhibiting platelet aggregation P2RY12, P2RY11, P2RY13 BMPR1B 2458/4885SLC29A1 188/4885LMNA 1956/4885
US-20060121086-A1 Drug-eluting stents coated with non-nucleotide P2Y12 receptor antagonist compound P2RY12, P2RY11, P2RY13 BMPR1B 2524/4885SLC29A1 694/4885LMNA 2165/4885

“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.