SCHEMBL24444133

SCHEMBL24444133

C[C@@H]1[C@H](O)[C@@H](COP(=O)(S)OC[C@@H]2[C@@H](COP(=O)(O)O)C[C@H]2n2cnc3c(N)ncnc32)O[C@H]1n1cnc2c(=O)n3ccnc3[nH]c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 3/20 0.48
▸ DNPH1 O43598 1/20 0.48
▸ PRKAB2 O43741 1/20 0.48
▸ TRPM2 O94759 1/20 0.48
▸ LDHA P00338 1/20 0.48
▸ ADRB2 P07550 1/20 0.48
▸ FBP1 P09467 1/20 0.48
▸ SRC P12931 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ P2RY2 P41231 1/20 0.48
▸ PRKAG1 P54619 1/20 0.48
▸ PRKAA2 P54646 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ PRKAA1 Q13131 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48
▸ P2RY11 Q96G91 1/20 0.48

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
SCHEMBL21263943 0.96 FHIT (0.45) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL21263944 0.90 FHIT (0.40) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL21263871 0.89 POLB (0.49) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL21263960 0.87 P2RY1 (0.41) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL24258614 0.86 POLB (0.49) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL24258604 0.84 POLB (0.41) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL24258651 0.84 RNASEL (0.45) RNASEL
SCHEMBL24258615 0.82 RNASEL (0.38) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL24258636 0.81 RNASEL (0.42) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL24258677 0.81 POLB (0.47) P2RY1DNPH1PRKAB2TRPM2LDHA

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-11339185-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2022-05-24 — — 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-11339185-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 P2RY1 1124/4885DNPH1 2001/4885PRKAB2 875/4885

“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.

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