SCHEMBL260626

SCHEMBL260626

Cc1nc(Cl)c2ncn(C3OC(CO)C4OC(C)(C)OC43)c2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.61
PI4K2B Q8TCG2 1/20 0.61
PI4K2A Q9BTU6 1/20 0.61
PI4KB Q9UBF8 1/20 0.61
LMNA P02545 3/20 0.54
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
TP53 P04637 2/20 0.53
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.42
ADORA2A P29274 3/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA1 P30542 2/20 0.41
PDE2A O00408 1/20 0.41
ADRA1A P35348 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RX1 P51575 1/20 0.41
P2RX3 P56373 1/20 0.41

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
SCHEMBL9620376 1.00 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL17205571 0.90 LMNA (0.65) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL23914964 0.90 LMNA (0.65) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL18493278 0.90 LMNA (0.65) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL22757351 0.88 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL25354403 0.88 PI4KA (0.66) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL6663698 0.88 RXFP1 (0.48) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL5052443 0.87 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL24146589 0.87 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL325225 0.87 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-8133880-B2 Purine derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-03-13 US disclosed
US-20110059915-A1 PURINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2011-03-10 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-20110059915-A1 PURINE DERIVATIVES AND METHODS OF USE THEREOF PNP, NUDT1, HPRT1 PI4KA 1919/4885PI4K2B 2485/4885PI4K2A 2265/4885

“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.