SCHEMBL22601403

SCHEMBL22601403

CC1(C)OC2C(O1)[C@@H](CO)O[C@H]2n1cnc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.62
PI4K2B Q8TCG2 1/20 0.62
PI4K2A Q9BTU6 1/20 0.62
PI4KB Q9UBF8 1/20 0.62
P2RY12 Q9H244 1/20 0.55
ADORA1 P30542 4/20 0.52
ADORA3 P0DMS8 3/20 0.51
SLC29A1 Q99808 2/20 0.51
TP53 P04637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 2/20 0.51
NFKB1 P19838 2/20 0.51
THPO P40225 2/20 0.51
ADORA2A P29274 2/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
PMP22 Q01453 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 1/20 0.51
NPY1R P25929 1/20 0.51

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
SCHEMBL22402681 1.00 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBP2RY12
SCHEMBL1097616 1.00 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBP2RY12
SCHEMBL29444514 1.00 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBP2RY12
SCHEMBL30827092 1.00 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBP2RY12
SCHEMBL16378775 1.00 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBP2RY12
SCHEMBL26361736 1.00 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBP2RY12
SCHEMBL1795484 1.00 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBP2RY12
SCHEMBL21504639 0.93 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBP2RY12
SCHEMBL26937492 0.93 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBP2RY12
SCHEMBL26361740 0.93 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBP2RY12

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
WO-2020216327-A1 DERIVATIVES OF GLYCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2020-10-29 WO disclosed
US-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2016-10-20 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-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY PYGM, TNNC1, MUSK PI4KA 4606/4885PI4K2B 4486/4885PI4K2A 4412/4885

“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.