SCHEMBL25688948

SCHEMBL25688948

COC(=O)c1cc([C@@H]2O[C@H](CO)[C@@H](OP(=S)(OCCC#N)OC[C@H]3O[C@@H](n4cnc5c(NC(=O)c6ccccc6)ncnc54)[C@H](F)[C@@H]3OP(=O)(O)OCCC#N)[C@H]2C)ccn1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 11/20 0.38
▸ DNPH1 O43598 3/20 0.37
▸ P2RY2 P41231 1/20 0.37
▸ P2RY1 P47900 1/20 0.37
▸ P2RY6 Q15077 1/20 0.37
▸ ADORA1 P30542 1/20 0.36
▸ P2RX3 P56373 1/20 0.36
▸ P2RX4 Q99571 1/20 0.36
▸ P2RX2 Q9UBL9 1/20 0.36
▸ GAPDH P04406 1/20 0.36

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
SCHEMBL20908656 0.92 P2RY12 (0.36) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL25688943 0.92 P2RY12 (0.36) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL25688857 0.85 P2RY12 (0.38) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL20908463 0.85 P2RY12 (0.35) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL22375442 0.83 RNASEL (0.46) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL26294878 0.83 RNASEL (0.46) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL26291926 0.83 RNASEL (0.46) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL23624675 0.83 P2RY12 (0.47) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL25688927 0.82 P2RY12 (0.36) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL30292621 0.81 RNASEL (0.45) P2RY12P2RY2P2RY1P2RY6ADORA1

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-11660311-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-30 — — 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-11660311-B2 Cyclic dinucleotides as anticancer agents DPYD, CD38, DUT P2RY12 1351/4885DNPH1 1732/4885P2RY2 1137/4885

“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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