SCHEMBL13268677

SCHEMBL13268677

Cc1ccc(COC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C[C@@H]2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.58
▸ ENPP1 P22413 3/20 0.57
▸ P2RY1 P47900 1/20 0.57
▸ DTYMK P23919 4/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ ATG7 O95352 2/20 0.47
▸ PNP P00491 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ AHCY P23526 1/20 0.45
▸ ADORA2A P29274 1/20 0.45

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
SCHEMBL1140597 0.91 POLB (0.58) POLBENPP1P2RY1DTYMKHIF1A
SCHEMBL1140505 0.91 POLB (0.60) POLBENPP1P2RY1HIF1AATG7
SCHEMBL6908837 0.90 POLB (0.56) POLBENPP1P2RY1DTYMKHIF1A
SCHEMBL13269208 0.85 POLB (0.53) POLBENPP1P2RY1DTYMKHIF1A
SCHEMBL13268821 0.85 POLB (0.54) POLBENPP1P2RY1DTYMKHIF1A
SCHEMBL766552 0.84 ENPP1 (0.60) POLBENPP1P2RY1DTYMKATG7
SCHEMBL2788058 0.84 ENPP1 (0.60) POLBENPP1P2RY1DTYMKATG7
SCHEMBL16174396 0.84 ENPP1 (0.60) POLBENPP1P2RY1DTYMKATG7
SCHEMBL10021398 0.83 POLB (0.67) POLBENPP1P2RY1DTYMKHIF1A
SCHEMBL439242 0.83 POLB (0.67) POLBENPP1P2RY1DTYMKHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 — — US claimed
EP-2511283-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-10-17 — — EP claimed
US-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2019-01-08 — — US disclosed
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 — — US disclosed
EP-2511283-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-10-17 — — EP 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-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof ADORA2A, ADORA3, ADORA1 POLB 2416/4885ENPP1 363/4885P2RY1 10/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 POLB 2416/4885ENPP1 363/4885P2RY1 10/4885

“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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