SCHEMBL21362874

SCHEMBL21362874

CCN(CC)c1ncnc2c1ncn2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)C(Br)(Br)P(=O)(O)O)O1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 4/20 0.69
KDM4E B2RXH2 1/20 0.69
MEN1 O00255 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2D6 P10635 1/20 0.69
ALOX15 P16050 1/20 0.69
KMT2A Q03164 1/20 0.69
ENTPD3 O75355 1/20 0.69
ENPP1 P22413 1/20 0.69
ENTPD1 P49961 1/20 0.69
RGS12 O14924 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
GNAI1 P63096 1/20 0.49
CD79B P40259 1/20 0.45
GK P32189 1/20 0.42
PGK1 P00558 1/20 0.40
PGK2 P07205 1/20 0.40
P2RY1 P47900 3/20 0.40
P2RY2 P41231 2/20 0.40

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
SCHEMBL12800371 1.00 NT5E (0.69) NT5EKDM4EMEN1CYP1A2CYP2D6
SCHEMBL26219659 0.82 NT5E (1.00) NT5EKDM4EMEN1CYP1A2CYP2D6
SCHEMBL13105971 0.82 NT5E (1.00) NT5EKDM4EMEN1CYP1A2CYP2D6
SCHEMBL21122194 0.82 NT5E (1.00) NT5EKDM4EMEN1CYP1A2CYP2D6
SCHEMBL13096782 0.82 NT5E (1.00) NT5EKDM4EMEN1CYP1A2CYP2D6
SCHEMBL31309982 0.82 NT5E (1.00) NT5EKDM4EMEN1CYP1A2CYP2D6
SCHEMBL12732611 0.82 NT5E (1.00) NT5EKDM4EMEN1CYP1A2CYP2D6
SCHEMBL22524024 0.79 P2RY1 (0.45) ENPP1P2RY1P2RY2SRCALDH1A1
SCHEMBL7787281 0.77 P2RX3 (0.49) P2RY1P2RY2P2RX1P2RX3P2RX2
SCHEMBL26585031 0.76 P2RY1 (0.57) P2RY1P2RY2P2RX1P2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210023234-A1 ECTONUCLEOTIDE PYROPHOSPHATE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC (US) 2021-01-28 US disclosed
US-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC. 2019-09-19 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 (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-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, ENPEP NT5E 98/4885KDM4E 3935/4885MEN1 3454/4885
US-20210023234-A1 ECTONUCLEOTIDE PYROPHOSPHATE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, PNKP NT5E 73/4885KDM4E 3772/4885MEN1 3309/4885

“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.