SCHEMBL6699115

SCHEMBL6699115

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(O)OP(=O)(O)C(P(=O)(O)O)P(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.57
P2RY2 P41231 3/20 0.57
SRC P12931 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
DNPH1 O43598 1/20 0.57
PRKAB2 O43741 1/20 0.57
TRPM2 O94759 1/20 0.57
LDHA P00338 1/20 0.57
ADRB2 P07550 1/20 0.57
FBP1 P09467 1/20 0.57
ADORA1 P30542 1/20 0.57
PRKAG1 P54619 1/20 0.57
PRKAA2 P54646 1/20 0.57
PDE4D Q08499 1/20 0.57
KCNH2 Q12809 1/20 0.57
PRKAA1 Q13131 1/20 0.57
PDE3A Q14432 1/20 0.57
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
P2RY11 Q96G91 1/20 0.57

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
SCHEMBL756245 0.90 P2RY2 (0.64) P2RY1P2RY2SRCSMN1; SMN2DNPH1
Water SCHEMBL443839 0.89 P2RY2 (0.63) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL3164897 0.86 P2RY2 (0.65) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL4352328 0.85 AHCY (0.61) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL27779375 0.85 AHCY (0.61) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL8836085 0.84 GK (0.64) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL28192648 0.84 AHCY (0.60) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL6697169 0.84 PI4KA (0.56) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL8835991 0.83 AHCY (0.59) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL8836012 0.83 AHCY (0.59) P2RY1P2RY2SRCSMN1; SMN2DNPH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1469003-A2 Tetraphosphonate bicyclic trisanhydrides Pharmasset, Ltd. (US) 2004-10-20 EP disclosed
US-20040181078-A1 Tetraphosphonate bicyclic trisanhydrides PHARMASSET, LTD. 2004-09-16 US disclosed
US-6713623-B2 USEFUL AS INTERMEDIATES IN THE SYNTHESIS OF BIOLOGICALLY ACTIVE COMPOUNDS PHARMASSET, LTD. 2004-03-30 US disclosed
US-20020161220-A1 Tetraphosphonate bicyclic trisanhydrides GILEAD PHARMASSET LLC 2002-10-31 US disclosed
US-6326490-B1 ANTIPROLIFERATION AGENTS OR ANTICARCINOGENIC AGENTS PHARMASSET, LTD. 2001-12-04 US disclosed
EP-0934325-A4 TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES PHARMASSET LTD (US) 2000-08-16 EP disclosed
EP-0934325-A1 TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES Pharmasset, Ltd. (US) 1999-08-11 EP disclosed
WO-1998015563-A1 TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES PHARMASSET, LTD. (US) 1998-04-16 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-20040181078-A1 Tetraphosphonate bicyclic trisanhydrides IDH1, PPIP5K2, DHPS P2RY1 3076/4885P2RY2 3110/4885SRC 3192/4885
US-20020161220-A1 Tetraphosphonate bicyclic trisanhydrides IDH1, PPIP5K2, DHPS P2RY1 3076/4885P2RY2 3110/4885SRC 3192/4885

“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.