SCHEMBL12799299

SCHEMBL12799299

O=C(OC[C@H]1O[C@@H](n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)ncnc32)[C@@H]2OCO[C@@H]21)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.72
▸ GSK3A P49840 3/20 0.45
▸ RPS6KA3 P51812 3/20 0.45
▸ MAPK14 Q16539 3/20 0.45
▸ ABCB1 P08183 1/20 0.44
▸ P2RX3 P56373 1/20 0.41
▸ P2RX4 Q99571 1/20 0.41
▸ P2RX2 Q9UBL9 1/20 0.41
▸ STING1 Q86WV6 1/20 0.41
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ P2RY12 Q9H244 2/20 0.40
▸ NPEPPS P55786 1/20 0.39

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
SCHEMBL14307966 0.86 GSK3A (0.60) LMNAGSK3ARPS6KA3MAPK14ABCB1
SCHEMBL12799297 0.85 LMNA (0.54) LMNAGSK3ARPS6KA3MAPK14ABCB1
SCHEMBL13084357 0.85 LMNA (0.75) LMNAGSK3ARPS6KA3MAPK14ABCB1
SCHEMBL13046095 0.85 LMNA (0.75) LMNAGSK3ARPS6KA3MAPK14ABCB1
SCHEMBL13863569 0.85 LMNA (0.75) LMNAGSK3ARPS6KA3MAPK14ABCB1
SCHEMBL14075778 0.85 LMNA (0.75) LMNAGSK3ARPS6KA3MAPK14ABCB1
SCHEMBL13084455 0.82 LMNA (0.70) LMNAGSK3ARPS6KA3MAPK14ABCB1
SCHEMBL14075786 0.81 LMNA (0.66) LMNAGSK3ARPS6KA3MAPK14ABCB1
SCHEMBL13084457 0.81 LMNA (0.66) LMNAGSK3ARPS6KA3MAPK14ABCB1
SCHEMBL14304184 0.79 LMNA (0.64) LMNAABCB1P2RX3P2RX4P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906518-B2 [(3aR,4R,6R,6aR)-6-(6-amino-2-methoxy-9H-purin-9yl)tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol; improved oral absorption CBT DEVELOPMENT LIMITED (GB) 2011-03-15 — — US disclosed
US-20080027081-A1 Therapeutic compounds BIOVITRUM AB (PUBL) 2008-01-31 — — 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-20080027081-A1 Therapeutic compounds ADORA2A, ADORA3, ADORA2B LMNA 698/4885GSK3A 1187/4885RPS6KA3 1501/4885

“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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