SCHEMBL280550

SCHEMBL280550

CC(=O)OCC1OC(n2cnc3c(Cl)nc(N)nc32)C2OC(C)(C)OC12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
ALDH1A1 P00352 2/20 0.58
TP53 P04637 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
MAPT P10636 1/20 0.58
RXFP1 Q9HBX9 1/20 0.51
PI4KA P42356 1/20 0.50
PI4K2B Q8TCG2 1/20 0.50
PI4K2A Q9BTU6 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
NT5E P21589 1/20 0.49
P2RX3 P56373 2/20 0.49
P2RX1 P51575 1/20 0.49
P2RX4 Q99571 1/20 0.49
HINT1 P49773 2/20 0.47
SLC29A1 Q99808 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
AMD1 P17707 2/20 0.41
CYP2C19 P33261 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
SCHEMBL25354612 0.91 RXFP1 (0.49) LMNAALDH1A1TP53TDP1MAPT
SCHEMBL1798145 0.87 RXFP1 (0.57) LMNAALDH1A1TP53TDP1MAPT
SCHEMBL25354403 0.86 PI4KA (0.66) LMNAALDH1A1TP53TDP1RXFP1
SCHEMBL260397 0.85 PI4KA (0.53) LMNAALDH1A1TP53TDP1MAPT
SCHEMBL24981046 0.84 RXFP1 (0.56) LMNAALDH1A1TP53TDP1MAPT
SCHEMBL5672710 0.84 PI4KA (0.63) LMNAALDH1A1TP53TDP1MAPT
SCHEMBL30544933 0.83 PI4KA (0.73) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1798271 0.83 PI4KA (0.73) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL3407241 0.83 PI4KA (0.73) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL5672241 0.83 PI4KA (0.73) RXFP1PI4KAPI4K2BPI4K2API4KB

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 4 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
US-7863253-B2 Purine Derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2011-01-04 US disclosed
US-20070238694-A1 Purine compounds and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-11 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 (2 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-20070238694-A1 Purine compounds and methods of use thereof PNP, ADORA2A, P2RY1 LMNA 1158/4885ALDH1A1 669/4885TP53 2877/4885
US-20110059915-A1 PURINE DERIVATIVES AND METHODS OF USE THEREOF PNP, NUDT1, HPRT1 LMNA 1029/4885ALDH1A1 488/4885TP53 1300/4885

“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.