SCHEMBL2556773

SCHEMBL2556773

CONc1nc(C(c2ccccc2)(c2ccccc2)c2ccccc2)nc2c1ncn2C[C@@H](O)COC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
PDE5A O76074 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CCNE2 O96020 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
HPRT1 P00492 1/20 0.33
IDO1 P14902 1/20 0.33
AGER Q15109 1/20 0.33

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
SCHEMBL2556488 0.92 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL14658500 0.92 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL2552242 0.89 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL5083038 0.75 CDK1 (0.41) CCNE2CCNE1CDK2CDK1CCNB1
SCHEMBL5083699 0.73 CDK1 (0.41) TSHRCCNE2CCNE1CDK2CDK1
SCHEMBL5086138 0.70 HPRT1 (0.44) TSHRCCNE2CCNE1CDK2HPRT1
SCHEMBL5086113 0.69 HPRT1 (0.35) CCNE2CCNE1CDK2HPRT1CDK1
SCHEMBL5080071 0.69 CDK1 (0.31) CDK1CCNB1
SCHEMBL2556500 0.69 PDE4D (0.44) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL2557634 0.68 CDK1 (0.35) CCNE2CCNE1CDK2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170096441-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-04-06 US disclosed
US-9475832-B2 Phosphonates with reduced toxicity for treatment of viral infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-10-25 US disclosed
US-20150080344-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION 2015-03-19 US disclosed
US-8846643-B2 Phosphonates with reduced toxicity for treatment of viral infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-30 US disclosed
EP-2558466-A2 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS The Regents of the University of California (US) 2013-02-20 EP disclosed
US-20130029940-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-01-31 US disclosed
WO-2011130557-A2 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-20 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 (3 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-20170096441-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP PDE4A 2114/4885PDE4B 2807/4885PDE4C 1985/4885
US-20130029940-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP PDE4A 2114/4885PDE4B 2807/4885PDE4C 1985/4885
US-20150080344-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP PDE4A 2114/4885PDE4B 2807/4885PDE4C 1985/4885

“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.