SCHEMBL3218602

SCHEMBL3218602

CS[C@@]1(n2cnc3c(O)ncnc32)O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 8/20 0.44
P2RY1 P47900 2/20 0.44
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
PRKAB2 O43741 1/20 0.44
TRPM2 O94759 1/20 0.44
LDHA P00338 1/20 0.44
ADRB2 P07550 1/20 0.44
FBP1 P09467 1/20 0.44
SRC P12931 1/20 0.44
ADORA1 P30542 1/20 0.44
P2RY2 P41231 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PDE4D Q08499 1/20 0.44
KCNH2 Q12809 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PDE3A Q14432 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P2RY11 Q96G91 1/20 0.44

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
SCHEMBL31527649 0.86 DNPH1 (0.40) DNPH1P2RY1TAS1R3TAS1R1PRKAB2
SCHEMBL29465207 0.86 DNPH1 (0.46) DNPH1P2RY1TAS1R3TAS1R1PRKAB2
SCHEMBL144526 0.86 DNPH1 (0.46) DNPH1P2RY1TAS1R3TAS1R1PRKAB2
SCHEMBL2228473 0.84 PI4KA (0.39) ADORA1SMN1; SMN2
SCHEMBL5801879 0.84 DNPH1 (0.44) DNPH1P2RY1TAS1R3TAS1R1PRKAB2
SCHEMBL17515130 0.83 DNPH1 (0.45) DNPH1P2RY1TAS1R3TAS1R1PRKAB2
SCHEMBL5268052 0.82 P2RX1 (0.59) P2RY1TRPM2SRCP2RY2SMN1; SMN2
SCHEMBL30893875 0.80 DNPH1 (0.42) DNPH1P2RY1TAS1R3TAS1R1PRKAB2
SCHEMBL8441747 0.78 P2RX3 (0.53) P2RY1SRCP2RY2SMN1; SMN2P2RX1
SCHEMBL8440659 0.77 P2RX3 (0.49) P2RY1SRCP2RY2SMN1; 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-20100069319-A1 Mercaptopurine derivatives and uses thereof MIRON, TALIA (IL) 2010-03-18 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-20100069319-A1 Mercaptopurine derivatives and uses thereof TPMT, MTAP, ENTPD5 DNPH1 510/4885P2RY1 323/4885TAS1R3 3829/4885

“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.