SCHEMBL12845138

SCHEMBL12845138

COC[C@H]1C[C@@H](n2cnc3c(C)ncnc32)[C@@H]2OC(C)(C)O[C@H]12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
AHCY P23526 5/20 0.38
AMD1 P17707 2/20 0.37
ADORA2B P29275 1/20 0.36
P2RX1 P51575 1/20 0.36
P2RX3 P56373 1/20 0.36
P2RX4 Q99571 1/20 0.36
ADORA3 P0DMS8 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
SCHEMBL12779230 0.88 RXFP1 (0.40) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL14641615 0.87 RXFP1 (0.39) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL5370555 0.78 RXFP1 (0.41) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL5381480 0.77 PI4K2A (0.41) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL5369830 0.77 TYMP (0.39) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL5373131 0.77 RXFP1 (0.38) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1794832 0.76 RXFP1 (0.41) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL17889824 0.76 RXFP1 (0.40) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL17889873 0.76 RXFP1 (0.41) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1798140 0.76 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 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-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES DPYD, P2RX5, P2RX7 RXFP1 2679/4885PI4KA 2410/4885PI4K2B 1932/4885

“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.