SCHEMBL29398104

SCHEMBL29398104

Nc1ncnc2c1nc(N)n2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENTPD1 P49961 3/20 0.74
TRPM2 O94759 1/20 0.66
P2RY1 P47900 1/20 0.66

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
SCHEMBL636536 0.99 ENTPD1 (0.75) ENTPD1TRPM2P2RY1
SCHEMBL636535 0.99 ENTPD1 (0.75) ENTPD1TRPM2P2RY1
SCHEMBL10528520 0.92 SIRT2 (0.75) ENTPD1TRPM2P2RY1
SCHEMBL18858917 0.91 ENTPD1 (0.77) ENTPD1TRPM2P2RY1
SCHEMBL21283084 0.91 ENTPD1 (0.77) ENTPD1TRPM2P2RY1
SCHEMBL9752397 0.91 ENTPD1 (0.74) ENTPD1TRPM2P2RY1
SCHEMBL16805436 0.91 ENTPD1 (0.77) ENTPD1TRPM2P2RY1
SCHEMBL18852609 0.91 ENTPD1 (0.77) ENTPD1TRPM2P2RY1
SCHEMBL4314233 0.91 ENTPD1 (0.72) ENTPD1TRPM2P2RY1
SCHEMBL9752399 0.91 ENTPD1 (0.74) ENTPD1TRPM2P2RY1

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-11253535-B2 Carboline derivatives or phosphorous derivatives for the treatment of muscular myopathies and traumatic injuries to muscles CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-02-22 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-11253535-B2 Carboline derivatives or phosphorous derivatives for the treatment of muscular myopathies and traumatic injuries to muscles NAMPT, SARM1, NNT ENTPD1 65/4885TRPM2 942/4885P2RY1 249/4885

“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.