SCHEMBL6399587

SCHEMBL6399587

CC1(C)OC[C@H](COc2cc(N)nc(N)n2)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
MAPK14 Q16539 6/20 0.38
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
F2RL3 Q96RI0 1/20 0.35
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
JAK2 O60674 2/20 0.33
NTRK1 P04629 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL6399589 1.00 CA2 (0.43) CA2MAPK14CCNKCDK12F2RL3
SCHEMBL12654059 0.88 NUDT1 (0.46) CA2MAPK14CCNKCDK12F2RL3
SCHEMBL6394748 0.87 CA2 (0.44) CA2MAPK14CCNKCDK12KCNJ5
SCHEMBL6397888 0.87 CA2 (0.41) CA2MAPK14CCNKCDK12F2RL3
SCHEMBL17768005 0.83 CA2 (0.43) CA2MAPK14CCNKCDK12F2RL3
SCHEMBL17767915 0.83 CA2 (0.43) CA2MAPK14CCNKCDK12F2RL3
SCHEMBL17767918 0.83 CA2 (0.43) CA2MAPK14CCNKCDK12F2RL3
SCHEMBL14896744 0.82 CA2 (0.43) CA2MAPK14CCNKCDK12F2RL3
SCHEMBL17768163 0.82 NUDT1 (0.44) CA2MAPK14CCNKCDK12F2RL3
SCHEMBL14881706 0.82 NUDT1 (0.44) CA2MAPK14CCNKCDK12F2RL3

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
EP-1406911-B1 6-[2-(PHOSPHONOMETHOXY)ALKOXY] PYRIMIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY ACAD OF SCIENCE CZECH REPUBLIC (CZ) 2016-01-06 EP disclosed
US-20050038058-A1 Novel compounds and methods for therapy INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY 2005-02-17 US disclosed
US-6818633-B2 Antiviral for RNA or DNA viruses such as HIV, HBV or HSV; acyclic pyrimidine nucleoside phosphonate analogues; 2,4-diamino-6-[2-(phosphonomethoxy)ethoxy]pyrimidine; ; alkylating the 6-hydroxypyrimidine base with a dialkyl 2-chloroethoxymethylphosphonate INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2004-11-16 US disclosed
EP-1406911-A1 6-[2-(PHOSPHONOMETHOXY)ALKOXY]PYRIMIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2004-04-14 EP disclosed
US-20030109499-A1 Novel compounds and methods for therapy INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ACADEMY OF SCIENCES 2003-06-12 US disclosed
WO-2003002580-A1 6-`2-(PHOSPHONOMETHOXY)ALKOXY PYRIMIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OFTHE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2003-01-09 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 (2 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-20050038058-A1 Novel compounds and methods for therapy ZC3HAV1, IFNAR1, EIF2AK2 CA2 4682/4885MAPK14 4060/4885CCNK 810/4885
US-20030109499-A1 Novel compounds and methods for therapy IFNAR1, ZC3HAV1, EIF2AK2 CA2 4666/4885MAPK14 3343/4885CCNK 1064/4885

“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.