SCHEMBL4094997

SCHEMBL4094997

Nc1ncnc2c1ncn2COCCCOCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.61
PI4KA P42356 3/20 0.61
PI4K2B Q8TCG2 3/20 0.61
PI4K2A Q9BTU6 3/20 0.61
PI4KB Q9UBF8 3/20 0.61
ENPP1 P22413 2/20 0.51
NT5E P21589 1/20 0.50
EGFR P00533 2/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
DAPK1 P53355 1/20 0.48
ADORA1 P30542 1/20 0.47
ADCY5 O95622 1/20 0.47
NSD2 O96028 3/20 0.46
NSD3 Q9BZ95 3/20 0.46

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
SCHEMBL4096602 0.82 ADORA2A (0.54) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL4096596 0.81 ADORA2A (0.58) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL4094994 0.80 ADORA2A (0.56) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL11247503 0.78 ENPP1 (0.60) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL20096700 0.78 ADORA2A (0.64) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL10566016 0.77 ENPP1 (0.59) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL2293269 0.77 ADORA2A (0.66) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL20096689 0.77 ADORA2A (0.66) ADORA2API4KAPI4K2BPI4K2API4KB
9-Benzyl-9H-Adenine SCHEMBL104932 0.76 ADORA2A (1.00) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL4094131 0.76 EGFR (0.64) ADORA2API4KAPI4K2BPI4K2API4KB

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-20090203636-A1 Prevention and Treatment of Cancer and Other Diseases ALT SOLUTIONS, INC. 2009-08-13 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-20090203636-A1 Prevention and Treatment of Cancer and Other Diseases TERT, POLRMT, RNASE1 ADORA2A 1461/4885PI4KA 3172/4885PI4K2B 3810/4885

“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.