SCHEMBL325225

SCHEMBL325225

Cc1nc(N)c2ncn(C3OC(CO)[C@H]4OC(C)(C)OC34)c2n1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.74
PI4K2B Q8TCG2 1/20 0.74
PI4K2A Q9BTU6 1/20 0.74
PI4KB Q9UBF8 1/20 0.74
LMNA P02545 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
RXFP1 Q9HBX9 1/20 0.52
ADORA2A P29274 4/20 0.51
ADORA2B P29275 3/20 0.51
NT5E P21589 1/20 0.51
HIF1A Q16665 1/20 0.51
ADORA3 P0DMS8 1/20 0.50
ADORA1 P30542 1/20 0.50
P2RX1 P51575 1/20 0.49
P2RX3 P56373 1/20 0.49
P2RX4 Q99571 1/20 0.49

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
SCHEMBL5052443 1.00 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL10118150 1.00 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL24146589 1.00 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL13913206 1.00 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL10118148 0.90 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL13296260 0.89 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL25242659 0.89 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL2111246 0.89 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL24146587 0.89 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL13314808 0.89 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBLMNA

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-8133879-B2 Myocardial perfusion imaging methods and compositions GILEAD SCIENCES, INC. (US) 2012-03-13 US disclosed
US-20100183503-A1 MYOCARDIAL PERFUSION IMAGING METHODS AND COMPOSITIONS GILEAD PALO ALTO, INC. 2010-07-22 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-20100183503-A1 MYOCARDIAL PERFUSION IMAGING METHODS AND COMPOSITIONS ADORA2A, ADORA3, ADORA1 PI4KA 784/4885PI4K2B 1127/4885PI4K2A 923/4885

“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.