SCHEMBL18571802

SCHEMBL18571802

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2c1ncn2[C@@H]1O[C@H](COc2cc3ncc(Br)cc3cc2Cl)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.41
▸ P2RX3 P56373 3/20 0.40
▸ P2RX1 P51575 2/20 0.40
▸ P2RX4 Q99571 2/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ PI4K2B Q8TCG2 1/20 0.40
▸ PI4K2A Q9BTU6 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ AMD1 P17707 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ENTPD3 O75355 1/20 0.34
▸ NT5E P21589 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ ENTPD1 P49961 1/20 0.34
▸ NPEPPS P55786 3/20 0.33

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
SCHEMBL18571900 0.89 PRMT5 (0.32) RXFP1P2RX3P2RX1P2RX4PI4KA
SCHEMBL18572914 0.88 RXFP1 (0.42) RXFP1P2RX3P2RX1P2RX4PI4KA
SCHEMBL18571864 0.83 BCHE (0.34) KDM4EMEN1CYP1A2CYP2D6ALOX15
SCHEMBL22002121 0.83 PRMT5 (0.33) RXFP1P2RX3P2RX1P2RX4
SCHEMBL22002273 0.81 RXFP1 (0.33) RXFP1P2RX3P2RX1P2RX4PI4KA
SCHEMBL18572601 0.81 PDPK1 (0.32) RXFP1P2RX3P2RX1P2RX4
SCHEMBL18571621 0.81 RXFP1 (0.49) RXFP1P2RX3P2RX1P2RX4PI4KA
SCHEMBL18571623 0.80 PI4KA (0.62) RXFP1P2RX3P2RX1P2RX4PI4KA
SCHEMBL18572599 0.79 RXFP1 (0.33) RXFP1P2RX3P2RX1P2RX4PI4KA
SCHEMBL18512601 0.79 PI4KA (0.54) RXFP1P2RX3P2RX1P2RX4PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330127-A1 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-19 — — US disclosed
EP-4219496-A1 NOVEL 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN Pharmaceutica NV (BE) 2023-08-02 — — EP disclosed
EP-3341368-B1 NOVEL 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-10-06 — — EP disclosed
WO-2017032840-A1 NOVEL 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 — — 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 (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-20230330127-A1 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS PRMT5, PRMT6, PRMT1 RXFP1 3616/4885P2RX3 1467/4885P2RX1 1536/4885

“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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