SCHEMBL14075778

SCHEMBL14075778

O=C(OC[C@H]1O[C@@H](n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)ncnc32)[C@@H](OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.75
▸ P2RX3 P56373 3/20 0.57
▸ P2RX4 Q99571 3/20 0.57
▸ P2RX2 Q9UBL9 3/20 0.57
▸ MEN1 O00255 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ENPP1 P22413 1/20 0.48
▸ PRKAB2 O43741 1/20 0.46
▸ PRKAG1 P54619 1/20 0.46
▸ PRKAA2 P54646 1/20 0.46
▸ PRKAA1 Q13131 1/20 0.46
▸ PRKAG3 Q9UGI9 1/20 0.46
▸ PRKAG2 Q9UGJ0 1/20 0.46
▸ PRKAB1 Q9Y478 1/20 0.46
▸ P2RX1 P51575 2/20 0.46
▸ P2RX7 Q99572 2/20 0.46
▸ P2RX6 O15547 1/20 0.46
▸ P2RX5 Q93086 1/20 0.46

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
SCHEMBL13084357 1.00 LMNA (0.75) LMNAP2RX3P2RX4P2RX2MEN1
SCHEMBL13863569 1.00 LMNA (0.75) LMNAP2RX3P2RX4P2RX2MEN1
SCHEMBL13046095 1.00 LMNA (0.75) LMNAP2RX3P2RX4P2RX2MEN1
SCHEMBL13084455 0.95 LMNA (0.70) LMNAP2RX3P2RX4P2RX2MEN1
SCHEMBL17677178 0.91 LMNA (0.64) LMNAP2RX3P2RX4P2RX2ENPP1
SCHEMBL29672348 0.91 LMNA (0.64) LMNAP2RX3P2RX4P2RX2ENPP1
SCHEMBL29672354 0.91 LMNA (0.64) LMNAP2RX3P2RX4P2RX2ENPP1
SCHEMBL13769463 0.88 LMNA (0.59) LMNAP2RX3P2RX4P2RX2MEN1
SCHEMBL13046077 0.87 LMNA (0.60) LMNAP2RX3P2RX4P2RX2MEN1
SCHEMBL13046082 0.87 LMNA (0.60) LMNAP2RX3P2RX4P2RX2MEN1

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-20080221060-A1 Adenosine derivatives for treatment of pain and/or inflammation; diabetes BIOVITRUM AB (PUBL) (SE) 2008-09-11 — — 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-20080221060-A1 Adenosine derivatives for treatment of pain and/or inflammation; diabetes ADORA3, ADORA2B, P2RX3 LMNA 1677/4885P2RX3 3/4885P2RX4 39/4885

“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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