SCHEMBL787408

SCHEMBL787408

C[C@H](OP(N)(=O)O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 6/20 0.59
P2RY1 P47900 4/20 0.59
P2RY2 P41231 3/20 0.59
SRC P12931 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
DNPH1 O43598 1/20 0.59
PRKAB2 O43741 1/20 0.59
TRPM2 O94759 1/20 0.59
LDHA P00338 1/20 0.59
ADRB2 P07550 1/20 0.59
FBP1 P09467 1/20 0.59
ADORA1 P30542 1/20 0.59
PRKAG1 P54619 1/20 0.59
PRKAA2 P54646 1/20 0.59
PDE4D Q08499 1/20 0.59
KCNH2 Q12809 1/20 0.59
PRKAA1 Q13131 1/20 0.59
PDE3A Q14432 1/20 0.59
TAS1R3 Q7RTX0 1/20 0.59
TAS1R1 Q7RTX1 1/20 0.59

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
SCHEMBL5320373 0.93 P2RY2 (0.63) AHCYP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL8438661 0.89 P2RY2 (0.64) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL800851 0.89 P2RY2 (0.64) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL800850 0.89 P2RY2 (0.64) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL800684 0.89 P2RY2 (0.64) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL226039 0.85 AHCY (0.63) AHCYSMN1; SMN2ADORA1ADORA3ADORA2B
SCHEMBL1332843 0.84 AHCY (0.60) AHCYP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL756245 0.84 P2RY2 (0.64) AHCYP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL7231385 0.84 P2RY2 (0.64) AHCYP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL16108843 0.83 P2RY2 (0.61) AHCYP2RY1P2RY2SRCSMN1; SMN2

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
WO-2012040126-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 WO disclosed
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 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-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NTPCR, NUDT1 AHCY 293/4885P2RY1 57/4885P2RY2 101/4885

“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.