SCHEMBL601906

SCHEMBL601906

Nc1nc2[nH]cnc2c(=O)n1CC(CO)CCO

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNP P00491 6/20 0.34
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
ADORA2A P29274 3/20 0.30
ADORA2B P29275 3/20 0.30
PDE2A O00408 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 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
SCHEMBL21748352 0.84 ADORA2A (0.40) PNPADORA2AADORA2B
SCHEMBL8423728 0.81 PDE4A (0.38) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL5503490 0.79 ADORA2A (0.49) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL7617790 0.79 PNP (0.36) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL6694607 0.79 CYP3A4 (0.35) ADORA2B
SCHEMBL16106177 0.78 ADORA2A (0.37) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9960806 0.77 PNP (0.38) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL6434440 0.75 PNP (0.50) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL874734 0.74 ADORA2A (0.45) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL2113436 0.74 ADORA2A (0.33) PNPPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541600-B2 11-aza, 11-thia and 11-oxa sterol compounds and compositions Harbor Therapeutics, Inc. (US) 2013-09-24 US disclosed
US-20120101052-A9 15-THIA STEROID COMPOUNDS AND COMPOSITIONS BIOVIE INC. 2012-04-26 US disclosed
US-20120041016-A1 11-Aza, 11-Thia and 11-Oxa Sterol Compounds and Compositions BIOVIE INC. 2012-02-16 US disclosed
US-8022234-B2 Compounds and compositions HARBOR BIOSCIENCES, INC. (US) 2011-09-20 US disclosed
US-20110218162-A1 15-THIA STEROID COMPOUNDS AND COMPOSITIONS FRINCKE JAMES M 2011-09-08 US disclosed
US-7947846-B2 15-OXA-steroid compounds HARBOR BIOSCIENCES, INC. (US) 2011-05-24 US disclosed
US-20110009372-A1 Compounds and compositions BIOVIE INC. 2011-01-13 US disclosed
US-20100222425-A1 COMPOSITIONS AND TREATMENT METHODS-2 BIOVIE INC. 2010-09-02 US disclosed
US-20070275936-A1 Formulations and Treatment Methods BIOVIE INC. 2007-11-29 US disclosed
US-20070129282-A1 Pharmaceutical treatments and compositions BIOVIE INC. 2007-06-07 US disclosed
US-20060079492-A1 Compositions and treatment methods BIOVIE INC. 2006-04-13 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 (8 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-20110009372-A1 Compounds and compositions HSD3B1, CYP17A1, HSD17B1 PNP 4748/4885PDE4A 564/4885PDE4B 683/4885
US-20070129282-A1 Pharmaceutical treatments and compositions HSD3B1, HSD3B2, HSD17B1 PNP 4773/4885PDE4A 657/4885PDE4B 847/4885
US-20100222425-A1 COMPOSITIONS AND TREATMENT METHODS-2 MPL, THPO, HSD3B2 PNP 1641/4885PDE4A 1426/4885PDE4B 1211/4885
US-20060079492-A1 Compositions and treatment methods MPL, HPGDS, THPO PNP 1245/4885PDE4A 1036/4885PDE4B 996/4885
US-20120101052-A9 15-THIA STEROID COMPOUNDS AND COMPOSITIONS MPL, THPO, ALOX15 PNP 1521/4885PDE4A 956/4885PDE4B 1035/4885
US-20120041016-A1 11-Aza, 11-Thia and 11-Oxa Sterol Compounds and Compositions CYP51A1, HSD11B1, HSD3B1 PNP 4133/4885PDE4A 233/4885PDE4B 247/4885
US-20110218162-A1 15-THIA STEROID COMPOUNDS AND COMPOSITIONS MPL, THPO, ALOX15 PNP 1521/4885PDE4A 956/4885PDE4B 1035/4885
US-20070275936-A1 Formulations and Treatment Methods HSD3B1, HSD17B1, HSD17B3 PNP 4828/4885PDE4A 902/4885PDE4B 1134/4885

“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.