SCHEMBL17974255

SCHEMBL17974255

O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(O[PH](=O)O)C1F)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 7/20 0.49
▸ P2RY12 Q9H244 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ SLC29A1 Q99808 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ NPY1R P25929 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ THPO P40225 1/20 0.49

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
SCHEMBL20692151 1.00 ADORA1 (0.49) ADORA1P2RY12LMNASLC29A1ALDH1A1
SCHEMBL18937381 1.00 ADORA1 (0.49) ADORA1P2RY12LMNASLC29A1ALDH1A1
SCHEMBL29769721 1.00 ADORA1 (0.49) ADORA1P2RY12LMNASLC29A1ALDH1A1
SCHEMBL19762768 1.00 ADORA1 (0.49) ADORA1P2RY12LMNASLC29A1ALDH1A1
SCHEMBL20248740 1.00 ADORA1 (0.49) ADORA1P2RY12LMNASLC29A1ALDH1A1
SCHEMBL17325427 1.00 ADORA1 (0.49) ADORA1P2RY12LMNASLC29A1ALDH1A1
SCHEMBL29769733 0.95 ADORA1 (0.47) ADORA1P2RY12LMNASLC29A1ALDH1A1
SCHEMBL18797941 0.94 P2RY12 (0.50) ADORA1P2RY12LMNASLC29A1ALDH1A1
SCHEMBL21356326 0.94 P2RY12 (0.48) ADORA1P2RY12LMNAPRMT6
SCHEMBL21372567 0.94 ADORA1 (0.48) ADORA1P2RY12LMNASLC29A1ALDH1A1

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 10 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
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-2016120305-A1 CYCLIC DINUCLEOTIDES USEFUL FOR THE TREATMENT OF INTER ALIA CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-08-04 — — 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 ADORA1 209/4885P2RY12 86/4885LMNA 978/4885
US-20180258132-A1 Novel Compounds STING1, IRF3, IFNAR1 ADORA1 209/4885P2RY12 86/4885LMNA 978/4885
US-10364266-B2 Compounds STING1, IRF3, TLR9 ADORA1 158/4885P2RY12 74/4885LMNA 774/4885
US-10730907-B2 Compounds STING1, IRF3, TLR9 ADORA1 158/4885P2RY12 74/4885LMNA 774/4885
US-20170158724-A1 Novel Compounds STING1, IRF3, IFNAR1 ADORA1 209/4885P2RY12 86/4885LMNA 978/4885

“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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