SCHEMBL10146720

SCHEMBL10146720

CCNC(=O)[C@@H](OCn1cnc2c(N)nc(C3(O)CCCCC3C)nc21)C(O)CO

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ VCP P55072 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ ADORA2A P29274 4/20 0.33
▸ HSP90B1 P14625 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ ADORA3 P0DMS8 2/20 0.31
▸ ADORA1 P30542 2/20 0.31
▸ PDE8A O60658 1/20 0.31

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
SCHEMBL3478695 0.91 MEN1 (0.32) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL13777714 0.89 MEN1 (0.36) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL13777711 0.85 ADORA3 (0.34) ADORA2AADORA3ADORA1
SCHEMBL13777765 0.83 MEN1 (0.33) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL13777710 0.83 MEN1 (0.36) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL13777733 0.80 — —
SCHEMBL14393328 0.80 MEN1 (0.40) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL3478702 0.80 MEN1 (0.40) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL13777708 0.80 MEN1 (0.34) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL13777738 0.79 ADORA3 (0.36) ADORA2AADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158604-B2 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-04-17 — — US disclosed
US-20100152127-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-06-17 — — US disclosed
US-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 — — 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-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES ADORA2A, PDE4A, PDE4B MEN1 2797/4885ALDH1A1 1012/4885LMNA 2031/4885
US-20100152127-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF ADORA2A, ADORA3, ADORA1 MEN1 2054/4885ALDH1A1 635/4885LMNA 1231/4885

“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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