SCHEMBL13966415

SCHEMBL13966415

CC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(OC)cc4)ncnc32)C2OC(C)(C)O[C@H]21

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 1/20 0.52
▸ CDK1 P06493 1/20 0.52
▸ CCNB1 P14635 1/20 0.52
▸ CCNB3 Q8WWL7 1/20 0.52
▸ SLC29A1 Q99808 4/20 0.50
▸ PI4KA P42356 1/20 0.50
▸ PI4K2B Q8TCG2 1/20 0.50
▸ PI4K2A Q9BTU6 1/20 0.50
▸ PI4KB Q9UBF8 1/20 0.50
▸ ADORA3 P0DMS8 3/20 0.49
▸ ADORA1 P30542 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL13975624 0.92 PI4KA (0.61) SLC29A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL17371116 0.92 PI4KA (0.61) SLC29A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL21139430 0.92 PI4KA (0.61) SLC29A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL13966414 0.92 PI4KA (0.61) SLC29A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL21139458 0.90 SLC29A1 (0.54) CCNB2CDK1CCNB1CCNB3SLC29A1
SCHEMBL20434991 0.88 SLC29A1 (0.48) CCNB2CDK1CCNB1CCNB3SLC29A1
SCHEMBL20435009 0.88 PI4KA (0.56) SLC29A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL26292145 0.88 PI4KA (0.56) SLC29A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL20435006 0.88 PI4KA (0.56) SLC29A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL19443155 0.88 CCNB2 (0.47) CCNB2CDK1CCNB1CCNB3SLC29A1

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-20150374737-A1 Dual-Action Compounds Targeting Adenosine A2A Receptor and Adenosine Transporter for Prevention and Treatment of Neurodegenerative Diseases ACADEMIA SINICA (TW) 2015-12-31 — — US disclosed
US-20120295863-A1 Dual-Action Compounds Targeting Adenosine A2A Receptor and Adenosine Transporter for Prevention and Treatment of Neurodegenerative Diseases ACADEMIA SINICA (TW) 2012-11-22 — — 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-20150374737-A1 Dual-Action Compounds Targeting Adenosine A2A Receptor and Adenosine Transporter for Prevention and Treatment of Neurodegenerative Diseases ADORA2A, ADORA1, ADORA3 CCNB2 3474/4885CDK1 1493/4885CCNB1 3063/4885
US-20120295863-A1 Dual-Action Compounds Targeting Adenosine A2A Receptor and Adenosine Transporter for Prevention and Treatment of Neurodegenerative Diseases ADORA2A, ADORA1, ADORA3 CCNB2 3474/4885CDK1 1493/4885CCNB1 3063/4885

“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.

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