SCHEMBL18720698

SCHEMBL18720698

C=C1N=C(N)C=CN1[C@@H]1OC2COP(=O)(N[C@@H](C)C(=O)OCC)O[C@H]2[C@@H]1O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.37
▸ PRKACA P17612 1/20 0.33
▸ PRKACG P22612 1/20 0.33
▸ PRKACB P22694 1/20 0.33
▸ PDE4A P27815 9/20 0.33
▸ PDE4B Q07343 9/20 0.33
▸ PDE4C Q08493 9/20 0.33
▸ PDE4D Q08499 9/20 0.33
▸ STING1 Q86WV6 4/20 0.32
▸ RAPGEF3 O95398 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ GMNN O75496 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RAPGEF4 Q8WZA2 1/20 0.32

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
SCHEMBL18720669 0.79 RXFP1 (0.41) RXFP1PRKACAPRKACGPRKACBPDE4A
SCHEMBL18720750 0.77 LMNA (0.41) RXFP1STING1RAPGEF3LMNA
SCHEMBL17826380 0.76 PDE4A (0.40) RXFP1PDE4APDE4BPDE4CPDE4D
SCHEMBL18720720 0.74 RXFP1 (0.54) RXFP1STING1RAPGEF3LMNAGMNN
SCHEMBL17304753 0.73 STING1 (0.54) RXFP1STING1RAPGEF3LMNAGMNN
SCHEMBL18720717 0.73 RXFP1 (0.49) RXFP1PDE4APDE4BPDE4CPDE4D
SCHEMBL18720658 0.72 RXFP1 (0.36) RXFP1PRKACAPRKACGPRKACBPDE4A
SCHEMBL18720678 0.71 RXFP1 (0.46) RXFP1PDE4APDE4BPDE4CPDE4D
SCHEMBL18720668 0.68 STING1 (0.44) RXFP1PRKACAPRKACGPRKACBPDE4A
SCHEMBL18720718 0.68 STING1 (0.53) STING1

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-20170101431-A1 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF CANCER IDENIX PHARMACEUTICALS LLC (US) 2017-04-13 — — 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-20170101431-A1 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF CANCER TYMP, NSUN2, PNP RXFP1 4795/4885PRKACA 1382/4885PRKACG 1632/4885

“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