SCHEMBL2556502

SCHEMBL2556502

COc1ccccc1C(c1ccccc1)(c1ccccc1)c1nc(N)c2ncn(CC(O)CF)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
IDO1 P14902 1/20 0.36
ADORA2A P29274 7/20 0.35
AHCY P23526 1/20 0.35
ADORA1 P30542 4/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
TMIGD3 P0DMS9 3/20 0.33
TLR7 Q9NYK1 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HRH2 P25021 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
NUDT1 P36639 1/20 0.33
HTR2B P41595 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
SCHEMBL2556500 0.87 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CADORA2A
SCHEMBL5962592 0.69 CYP3A4 (0.55)
SCHEMBL2553513 0.69 ABL1 (0.34) ADORA2AADORA1ADRA1DADRA1AADORA2B
SCHEMBL2556488 0.67 PDE4A (0.38) PDE4DPDE4APDE4BPDE4CIDO1
SCHEMBL14658500 0.67 PDE4A (0.38) PDE4DPDE4APDE4BPDE4CIDO1
SCHEMBL9294640 0.67 ABL1 (0.34) ADORA2AADORA1ADRA1DADRA1AADORA2B
SCHEMBL7161328 0.66 FGFR1 (0.52) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL2552242 0.66 PDE4A (0.37) PDE4DPDE4APDE4BPDE4CIDO1
SCHEMBL2556773 0.66 PDE4A (0.37) PDE4DPDE4APDE4BPDE4CIDO1
SCHEMBL4002739 0.65 TLR7 (0.52) PDE4DPDE4APDE4BPDE4CADORA2A

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-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
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 PDE4D 3134/4885PDE4A 2114/4885PDE4B 2807/4885
US-20130029940-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP PDE4D 3134/4885PDE4A 2114/4885PDE4B 2807/4885
US-20150080344-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP PDE4D 3134/4885PDE4A 2114/4885PDE4B 2807/4885

“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.