SCHEMBL20474394

SCHEMBL20474394

CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=S)(OCCC#N)O[C@H]3[C@@H](F)[C@H](n4cnc5c(NC(=O)c6ccccc6)ncnc54)O[C@@H]3CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[PH](=O)O[C@@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=S)(OCCC#N)O[C@H]3[C@@H](F)[C@H](n4cnc5c(NC(=O)c6ccccc6)ncnc54)O[C@@H]3CO)O[C@H]2n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ TAS1R3 Q7RTX0 2/20 0.36
▸ TAS1R1 Q7RTX1 2/20 0.36
▸ P2RY12 Q9H244 8/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ STING1 Q86WV6 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ GAPDH P04406 1/20 0.32
▸ P2RY2 P41231 1/20 0.32
▸ P2RY1 P47900 1/20 0.32
▸ P2RY6 Q15077 1/20 0.32
▸ DNPH1 O43598 1/20 0.32

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
SCHEMBL18490510 0.97 KDM4E (0.37) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL22301419 0.97 KDM4E (0.39) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL18917302 0.95 KDM4E (0.37) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL18917307 0.95 KDM4E (0.37) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL22301424 0.94 KDM4E (0.39) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL22034291 0.93 KDM4E (0.36) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL19762769 0.91 KDM4E (0.38) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL18490411 0.91 KDM4E (0.40) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL18490592 0.90 TYMP (0.37) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL17860500 0.90 TAS1R3 (0.41) KDM4ETAS1R3TAS1R1P2RY12GAPDH

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 — — US disclosed
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-09-01 — — US disclosed
US-10106574-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2018-10-23 — — US disclosed
US-20180244712-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-08-30 — — US disclosed
US-20180237469-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-08-23 — — 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 (5 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-10106574-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 KDM4E 4116/4885TAS1R3 453/4885TAS1R1 161/4885
US-20180237469-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 KDM4E 4116/4885TAS1R3 453/4885TAS1R1 161/4885
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 KDM4E 4116/4885TAS1R3 453/4885TAS1R1 161/4885
US-20180244712-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 KDM4E 4116/4885TAS1R3 453/4885TAS1R1 161/4885
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 KDM4E 4116/4885TAS1R3 453/4885TAS1R1 161/4885

“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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