SCHEMBL13467655

SCHEMBL13467655

OC[C@@H]1CC[C@H](n2cnc3c(NCc4ccccc4)ncnc32)O1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.66
▸ RAB9A P51151 1/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.66
▸ ADORA3 P0DMS8 6/20 0.63
▸ TP53 P04637 1/20 0.63
▸ SLC29A1 Q99808 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ NR2F2 P24468 5/20 0.63
▸ ABL1 P00519 5/20 0.57
▸ RIN1 Q13671 5/20 0.57
▸ PAX8 Q06710 1/20 0.55
▸ ADORA2A P29274 1/20 0.54
▸ ADORA1 P30542 1/20 0.54
▸ GALR3 O60755 1/20 0.54

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
SCHEMBL13467551 0.91 NR2F2 (0.58) NPC1RAB9ASMN1; SMN2ADORA3TP53
SCHEMBL13467417 0.90 NR2F2 (0.57) NPC1RAB9ASMN1; SMN2ADORA3TP53
SCHEMBL24600710 0.89 ADORA3 (0.53) NPC1RAB9ASMN1; SMN2ADORA3TP53
SCHEMBL14047479 0.85 TP53 (0.65) NPC1RAB9ASMN1; SMN2ADORA3TP53
SCHEMBL13467412 0.85 NR2F2 (0.55) NPC1RAB9ASMN1; SMN2ADORA3TP53
SCHEMBL24600724 0.84 NPC1 (0.63) NPC1RAB9ASMN1; SMN2ADORA3TP53
SCHEMBL12566819 0.84 NPC1 (0.58) NPC1RAB9ASMN1; SMN2ADORA3TP53
SCHEMBL2036287 0.84 ALDH1A1 (0.55) ADORA3NR2F2ABL1RIN1
SCHEMBL29762643 0.84 NT5E (0.52) NPC1RAB9ASMN1; SMN2ADORA3NR2F2
SCHEMBL9589282 0.83 ALDH1A1 (0.54) ADORA3ABL1RIN1ADORA2AADORA1

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-20210338706-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-11-04 — — 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 (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-20210338706-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK PER2, CRY1, ADORA2A NPC1 4079/4885RAB9A 4290/4885SMN1; SMN2 4723/4885

“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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