SCHEMBL13020692

SCHEMBL13020692

CO[C@H]1[C@@H](OP(=S)(OCCC#N)OC[C@H]2O[C@@H](n3cnc4c(N(C(=O)c5ccccc5)C(=O)c5ccccc5)ncnc43)[C@H](OC(=O)c3ccccc3)[C@@H]2C)[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1CO

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ P2RX3 P56373 2/20 0.40
▸ P2RX4 Q99571 2/20 0.40
▸ P2RX2 Q9UBL9 2/20 0.40
▸ PRMT6 Q96LA8 1/20 0.39
▸ P2RY12 Q9H244 8/20 0.39
▸ ENPP1 P22413 1/20 0.37
▸ P2RX6 O15547 1/20 0.37
▸ P2RX1 P51575 1/20 0.37
▸ P2RX5 Q93086 1/20 0.37
▸ P2RY11 Q96G91 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ ADORA1 P30542 2/20 0.36
▸ DNPH1 O43598 2/20 0.36
▸ P2RY2 P41231 1/20 0.36
▸ P2RY1 P47900 1/20 0.36
▸ P2RY6 Q15077 1/20 0.36

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
SCHEMBL13020700 0.85 LMNA (0.41) LMNAP2RX3P2RX4P2RX2PRMT6
SCHEMBL13020702 0.84 LMNA (0.40) LMNAP2RX3P2RX4P2RX2PRMT6
SCHEMBL23624816 0.84 P2RY12 (0.49) P2RX3P2RX4P2RX2P2RY12ADORA1
SCHEMBL13020691 0.82 LMNA (0.38) LMNAP2RX3P2RX4P2RX2PRMT6
SCHEMBL13020686 0.82 P2RX3 (0.53) P2RX3P2RX4P2RX2PRMT6P2RY12
SCHEMBL23624675 0.82 P2RY12 (0.47) P2RX3P2RX4P2RX2P2RY12ADORA1
SCHEMBL31430106 0.80 P2RY12 (0.43) PRMT6P2RY12ADORA1DNPH1
SCHEMBL19250015 0.80 P2RY12 (0.41) PRMT6P2RY12ADORA1DNPH1P2RY2
SCHEMBL19777575 0.78 P2RX3 (0.41) P2RX3P2RX4P2RX2PRMT6P2RY12
SCHEMBL16203604 0.78 LMNA (0.62) LMNAP2RX3P2RX4P2RX2ENPP1

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-20100331397-A1 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2010-12-30 — — 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-20100331397-A1 2-5A ANALOGS AND THEIR METHODS OF USE RNASEL, RNASE1, RNASEH1 LMNA 822/4885P2RX3 2285/4885P2RX4 2123/4885

“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.

Send feedback