SCHEMBL10047665

SCHEMBL10047665

COP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)C1O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 7/20 0.85
P2RY2 P41231 3/20 0.85
SRC P12931 2/20 0.85
SMN1; SMN2 Q16637 2/20 0.85
P2RX1 P51575 2/20 0.85
P2RX3 P56373 2/20 0.85
ALDH1A1 P00352 2/20 0.85
P2RX4 Q99571 1/20 0.85
P2RX2 Q9UBL9 1/20 0.85
TRPM2 O94759 2/20 0.81
TAS1R3 Q7RTX0 2/20 0.81
TAS1R1 Q7RTX1 2/20 0.81
DNPH1 O43598 1/20 0.81
PRKAB2 O43741 1/20 0.81
LDHA P00338 1/20 0.81
ADRB2 P07550 1/20 0.81
FBP1 P09467 1/20 0.81
ADORA1 P30542 1/20 0.81
PRKAG1 P54619 1/20 0.81
PRKAA2 P54646 1/20 0.81

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
SCHEMBL25242406 1.00 P2RY1 (0.85) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL10073564 1.00 P2RY1 (0.85) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL11643962 1.00 P2RY1 (0.85) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL24402565 1.00 P2RY1 (0.85) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL18665078 1.00 P2RY1 (0.85) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL5560007 0.95 P2RY1 (0.91) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL13853893 0.95 P2RY1 (0.91) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL22652873 0.95 P2RY1 (0.91) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL13550314 0.95 P2RY1 (0.91) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL18022428 0.95 P2RY1 (0.91) P2RY1P2RY2SRCSMN1; SMN2P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083599-A1 Biomolecular Labelling Using Multifunctional Biotin Analogues UNIVERSITY OF NOTTINGHAM (GB) 2012-04-05 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 (1 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-20120083599-A1 Biomolecular Labelling Using Multifunctional Biotin Analogues BTD, URB2, RAET1L P2RY1 4807/4885P2RY2 4547/4885SRC 4705/4885

“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.