SCHEMBL13707491

SCHEMBL13707491

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

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.65
PI4K2B Q8TCG2 1/20 0.65
PI4K2A Q9BTU6 1/20 0.65
PI4KB Q9UBF8 1/20 0.65
P2RY12 Q9H244 1/20 0.49
ADORA3 P0DMS8 2/20 0.49
ADORA1 P30542 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SLC29A1 Q99808 1/20 0.48

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
SCHEMBL20699834 0.88 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBP2RY12
SCHEMBL12379237 0.88 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBP2RY12
SCHEMBL18571809 0.88 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBP2RY12
SCHEMBL30827092 0.85 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBP2RY12
SCHEMBL22402681 0.85 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBP2RY12
SCHEMBL26361736 0.85 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBP2RY12
SCHEMBL22601403 0.85 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBP2RY12
SCHEMBL16378775 0.85 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBP2RY12
SCHEMBL29444514 0.85 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBP2RY12
SCHEMBL1097616 0.85 PI4KA (0.62) 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
US-8318798-B2 Therapeutic agent for neurodegenerative disease NATIONAL UNIVERSITY CORPORATION HOKKALDO UNIVERSITY (JP) 2012-11-27 US disclosed
US-20090233872-A1 Therapeutic Agent for Neurodegenerative Disease NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-09-17 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-20090233872-A1 Therapeutic Agent for Neurodegenerative Disease PARK7, HSPD1, FASTKD1 PI4KA 1685/4885PI4K2B 2158/4885PI4K2A 1461/4885

“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.