SCHEMBL10131208

SCHEMBL10131208

CC1(C)OC2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](n3cc(F)c4c(Cl)ncnc43)[C@H]2O1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
ADK P55263 7/20 0.40
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
P2RX1 P51575 1/20 0.37
P2RX3 P56373 1/20 0.37
P2RX4 Q99571 1/20 0.37
PRMT5 O14744 5/20 0.37
WDR77 Q9BQA1 5/20 0.37
SLC29A1 Q99808 1/20 0.37
AMD1 P17707 1/20 0.34

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
SCHEMBL325253 1.00 RXFP1 (0.42) RXFP1ADKPI4KAPI4K2BPI4K2A
SCHEMBL18009841 0.90 RXFP1 (0.43) RXFP1ADKPI4KAPI4K2BPI4K2A
SCHEMBL18572818 0.90 ADK (0.45) RXFP1ADKPI4KAPI4K2BPI4K2A
SCHEMBL59535 0.89 ADK (0.53) RXFP1ADKPI4KAPI4K2BPI4K2A
SCHEMBL20418987 0.89 ADK (0.53) RXFP1ADKPI4KAPI4K2BPI4K2A
SCHEMBL4165064 0.89 ADK (0.53) RXFP1ADKPI4KAPI4K2BPI4K2A
SCHEMBL18026249 0.85 PI4KA (0.44) RXFP1ADKPI4KAPI4K2BPI4K2A
SCHEMBL18535300 0.84 PI4KA (0.55) RXFP1ADKPI4KAPI4K2BPI4K2A
SCHEMBL18009754 0.84 PI4KA (0.55) RXFP1ADKPI4KAPI4K2BPI4K2A
SCHEMBL1795283 0.82 RXFP1 (0.54) 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 4742/4885ADK 442/4885PI4KA 2166/4885

“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.