SCHEMBL18917302

SCHEMBL18917302

CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C(O[Si](C)(C)C(C)(C)C)C2OP(=S)(OCCC#N)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C(F)C2O[PH](=O)O)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
SCHEMBL18917307 1.00 KDM4E (0.37) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL18490510 0.98 KDM4E (0.37) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL22301424 0.97 KDM4E (0.39) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL19762769 0.95 KDM4E (0.38) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL20474394 0.95 KDM4E (0.37) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL22301419 0.94 KDM4E (0.39) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL22034291 0.93 KDM4E (0.36) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL20248730 0.93 KDM4E (0.39) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL18797906 0.93 TYMP (0.37) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL18490411 0.93 KDM4E (0.40) KDM4ETAS1R3TAS1R1P2RY12PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3322713-B1 CYCLIC PURINE DINUCLEOTIDES AS MODULATORS OF STING GLAXOSMITHKLINE IP DEV LTD (GB) 2021-01-20 — — EP disclosed
US-10730907-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-08-04 — — US disclosed
US-10364266-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 — — US disclosed
US-20180258132-A1 Novel Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-09-13 — — US disclosed
EP-3366691-A1 CYCLIC PURINE DINUCLEOTIDES AS MODULATORS OF STING GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-08-29 — — EP disclosed
US-9994607-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-12 — — US disclosed
EP-3322713-A1 CYCLIC PURINE DINUCLEOTIDES AS MODULATORS OF STING GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-05-23 — — EP disclosed
US-20170233430-A1 Novel Compounds GLAXOSMITHKLINE LLC 2017-08-17 — — US disclosed
US-9718848-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-01 — — US disclosed
US-20170158724-A1 Novel Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-06-08 — — US disclosed
WO-2017093933-A1 CYCLIC PURINE DINUCLEOTIDES AS MODULATORS OF STING GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-06-08 — — WO 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-20170233430-A1 Novel Compounds STING1, IRF3, IFNAR1 KDM4E 4609/4885TAS1R3 217/4885TAS1R1 126/4885
US-20180258132-A1 Novel Compounds STING1, IRF3, IFNAR1 KDM4E 4609/4885TAS1R3 217/4885TAS1R1 126/4885
US-10364266-B2 Compounds STING1, IRF3, TLR9 KDM4E 4540/4885TAS1R3 207/4885TAS1R1 128/4885
US-10730907-B2 Compounds STING1, IRF3, TLR9 KDM4E 4540/4885TAS1R3 207/4885TAS1R1 128/4885
US-20170158724-A1 Novel Compounds STING1, IRF3, IFNAR1 KDM4E 4609/4885TAS1R3 217/4885TAS1R1 126/4885

“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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