SCHEMBL18069462

SCHEMBL18069462

CC[C@H]1O[C@@H](n2cnc3c(NC(=O)OC(C)(C)C)ncnc32)[C@H]2OC(C)(C)OC12

nearest known ligand 0.87

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.52
▸ PI4K2B Q8TCG2 1/20 0.52
▸ PI4K2A Q9BTU6 1/20 0.52
▸ PI4KB Q9UBF8 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.49
▸ P2RX1 P51575 1/20 0.47
▸ P2RX3 P56373 1/20 0.47
▸ P2RX4 Q99571 1/20 0.47
▸ ADORA1 P30542 2/20 0.45
▸ DOT1L Q8TEK3 1/20 0.43
▸ P2RY12 Q9H244 2/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ PRMT5 O14744 2/20 0.43
▸ WDR77 Q9BQA1 2/20 0.43
▸ NT5E P21589 1/20 0.43
▸ AMD1 P17707 1/20 0.43

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 0.93 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18571809 0.93 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL12379237 0.93 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL12379190 0.92 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL4896950 0.92 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL24450651 0.91 PI4KA (0.51) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL29695827 0.91 PI4KA (0.51) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL21028240 0.89 RXFP1 (0.49) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL19302803 0.89 RXFP1 (0.51) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL24146794 0.89 RXFP1 (0.49) PI4KAPI4K2BPI4K2API4KBRXFP1

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-20160264613-A1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN ACADEMIA SINICA (TW) 2016-09-15 — — 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-20160264613-A1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN ADORA2A, ADORA3, ADORA2B PI4KA 3311/4885PI4K2B 3941/4885PI4K2A 2856/4885

“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.

Send feedback