SCHEMBL22879142

SCHEMBL22879142

CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[PH](=O)O)[C@H](n2cnc3c(=O)[nH]nnc32)O[C@@H]1COP(=S)(OCCC#N)O[C@H]1[C@@H](F)[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1CO

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 12/20 0.36
▸ PRMT6 Q96LA8 1/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ DNPH1 O43598 2/20 0.34
▸ P2RY2 P41231 1/20 0.34
▸ P2RY1 P47900 1/20 0.34
▸ P2RY6 Q15077 1/20 0.34

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
SCHEMBL18917301 0.93 P2RY12 (0.39) P2RY12PRMT6ADORA1DNPH1P2RY2
SCHEMBL18927171 0.93 P2RY12 (0.39) P2RY12PRMT6ADORA1DNPH1P2RY2
SCHEMBL18490510 0.90 KDM4E (0.37) P2RY12PRMT6ADORA1DNPH1P2RY2
SCHEMBL20214132 0.89 P2RY12 (0.34) P2RY12PRMT6ADORA1DNPH1P2RY2
SCHEMBL32679076 0.89 P2RY12 (0.34) P2RY12PRMT6ADORA1DNPH1P2RY2
SCHEMBL32679073 0.89 P2RY12 (0.34) P2RY12PRMT6ADORA1DNPH1P2RY2
SCHEMBL17860551 0.88 P2RY12 (0.38) P2RY12PRMT6ADORA1DNPH1P2RY2
SCHEMBL18917302 0.88 KDM4E (0.37) P2RY12PRMT6ADORA1DNPH1P2RY2
SCHEMBL18917307 0.88 KDM4E (0.37) P2RY12PRMT6ADORA1DNPH1P2RY2
SCHEMBL19250015 0.88 P2RY12 (0.41) P2RY12PRMT6ADORA1DNPH1P2RY2

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-20210009627-A1 CYCLIC DINUCLEOTIDE COMPOUNDS CONTAINING 2-AZA-HYPOXANTHINE OR 6H-PYTAZOLO[1,5-D][1,2,4]TRIZAIN-7-ONE AS STRING AGONISTS BOEHRINGER INGELHEIM INT (DE) 2021-01-14 — — 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-20210009627-A1 CYCLIC DINUCLEOTIDE COMPOUNDS CONTAINING 2-AZA-HYPOXANTHINE OR 6H-PYTAZOLO[1,5-D][1,2,4]TRIZAIN-7-ONE AS STRING AGONISTS STING1, CGAS, TLR7 P2RY12 25/4885PRMT6 717/4885ADORA1 12/4885

“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.

Send feedback