SCHEMBL10131056

SCHEMBL10131056

CC1(C)OC2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](n3ccc4c(Cl)ncnc43)[C@H]2O1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
PRMT5 O14744 14/20 0.39
WDR77 Q9BQA1 13/20 0.39
P2RX1 P51575 1/20 0.38
P2RX3 P56373 1/20 0.38
P2RX4 Q99571 1/20 0.38

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
SCHEMBL18009694 1.00 RXFP1 (0.41) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL24687531 1.00 RXFP1 (0.41) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL18535190 1.00 RXFP1 (0.41) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL18009882 0.90 PRMT5 (0.42) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL18572224 0.89 PRMT5 (0.52) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL314858 0.88 RXFP1 (0.41) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL25956503 0.87 RXFP1 (0.44) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL324410 0.87 PI4KA (0.43) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL18572203 0.87 RXFP1 (0.34) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL18009779 0.86 RXFP1 (0.40) RXFP1PI4KAPI4K2BPI4K2API4KB

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-8093226-B2 Cytostatic 7-deazapurine nucleosides INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ASCR, V.V.I. (CZ) 2012-01-10 US disclosed
US-20090203637-A1 NOVEL CYTOSTATIC 7-DEAZAPURINE NUCLEOSIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ASCR, V.V.I. 2009-08-13 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-20090203637-A1 NOVEL CYTOSTATIC 7-DEAZAPURINE NUCLEOSIDES TYMP, TYMS, DPYD RXFP1 4742/4885PI4KA 2166/4885PI4K2B 2011/4885

“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.