SCHEMBL17501730

SCHEMBL17501730

CC1(C)O[C@@H]2[C@@H](CO)C=C(n3cnc4c(N)ncnc43)[C@@H]2O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 8/20 0.53
PI4K2B Q8TCG2 8/20 0.53
PI4K2A Q9BTU6 8/20 0.53
PI4KB Q9UBF8 8/20 0.53
ADORA2A P29274 6/20 0.43
RXFP1 Q9HBX9 1/20 0.41
EGFR P00533 1/20 0.41
ADORA1 P30542 3/20 0.40
P2RX1 P51575 1/20 0.40
P2RX3 P56373 1/20 0.40
P2RX4 Q99571 1/20 0.40
ADORA3 P0DMS8 2/20 0.39
SLC28A1 O00337 2/20 0.39
GMPS P49915 1/20 0.39
AHCY P23526 1/20 0.39
DPP4 P27487 1/20 0.39
MEN1 O00255 1/20 0.39
MAP3K7 O43318 1/20 0.39
SLC28A2 O43868 1/20 0.39
GAPDH P04406 1/20 0.39

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
SCHEMBL17501766 1.00 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21084885 1.00 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL17501747 0.83 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21084887 0.83 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL29361147 0.75 AHCYL1 (0.65) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL17501744 0.75 AHCYL1 (0.65) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL17528508 0.75 AHCYL1 (0.65) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL17501761 0.75 AHCYL1 (0.65) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL864471 0.74 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL12281130 0.74 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBADORA2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787478-B2 Enantiomers of the 1′,6′-isomer of neplanocin A AUBURN UNIVERSITY (US) 2020-09-29 US disclosed
US-20190202854-A1 ENANTIOMERS OF THE 1',6'-ISOMER OF NEPLANOCIN A AUBURN UNIVERSITY 2019-07-04 US disclosed
US-10227373-B2 Enantiomers of the 1′,6′-isomer of neplanocin A AUBURN UNIVERSITY (US) 2019-03-12 US disclosed
US-20170260223-A1 ENANTIOMERS OF THE 1',6'-ISOMER OF NEPLANOCIN A AUBURN UNIVERSITY 2017-09-14 US disclosed
EP-3177296-A1 ENANTIOMERS OF THE 1',6'-ISOMER OF NEPLANOCIN A Auburn University (US) 2017-06-14 EP disclosed
US-9657048-B2 Enantiomers of the 1′,6′-isomer of neplanocin A AUBURN UNIVERSITY (US) 2017-05-23 US disclosed
WO-2016022563-A1 ENANTIOMERS OF THE 1',6'-ISOMER OF NEPLANOCIN A AUBURN UNIVERSITY (US) 2016-02-11 WO disclosed
US-20160039860-A1 ENANTIOMERS OF THE 1',6'-ISOMER OF NEPLANOCIN A AUBURN UNIVERSITY 2016-02-11 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 (5 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-10787478-B2 Enantiomers of the 1′,6′-isomer of neplanocin A NME2, NTPCR, SAMHD1 PI4KA 4214/4885PI4K2B 4475/4885PI4K2A 4524/4885
US-10227373-B2 Enantiomers of the 1′,6′-isomer of neplanocin A NME2, NTPCR, SAMHD1 PI4KA 4214/4885PI4K2B 4475/4885PI4K2A 4524/4885
US-20170260223-A1 ENANTIOMERS OF THE 1',6'-ISOMER OF NEPLANOCIN A NME2, NTPCR, SAMHD1 PI4KA 4249/4885PI4K2B 4492/4885PI4K2A 4530/4885
US-20160039860-A1 ENANTIOMERS OF THE 1',6'-ISOMER OF NEPLANOCIN A NME2, NTPCR, SAMHD1 PI4KA 4249/4885PI4K2B 4492/4885PI4K2A 4530/4885
US-20190202854-A1 ENANTIOMERS OF THE 1',6'-ISOMER OF NEPLANOCIN A NME2, NTPCR, SAMHD1 PI4KA 4249/4885PI4K2B 4492/4885PI4K2A 4530/4885

“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.