SCHEMBL280091

SCHEMBL280091

NCCC(=O)[C@@H]1CC[C@H](n2cnc3c(N)nc(N/N=C/C4=Cc5ccccc5OC4)nc32)O1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.41
ADORA1 P30542 13/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL12964303 0.93 ADORA2A (0.41) ADORA2AADORA1KDM4ENPC1GAA
SCHEMBL10210012 0.83 ADORA2A (0.51) ADORA2AADORA1
SCHEMBL12964305 0.81 ADORA2A (0.41) ADORA2AADORA1
SCHEMBL12964306 0.81 ADORA1 (0.47) ADORA2AADORA1
SCHEMBL12935962 0.80 ADORA2A (0.52) ADORA2AADORA1
SCHEMBL260529 0.79 ADORA2A (0.51) ADORA2AADORA1
SCHEMBL10210014 0.78 ADORA2A (0.48) ADORA2AADORA1KDM4E
SCHEMBL280000 0.78 ADORA2A (0.48) ADORA2AADORA1
SCHEMBL12964099 0.76 ADORA2A (0.43) ADORA2AADORA1
SCHEMBL12964098 0.74 ADORA2A (0.43) ADORA2AADORA1

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 ADORA2A 4/4885ADORA1 22/4885KDM4E 4319/4885

“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.