SCHEMBL3478775

SCHEMBL3478775

CCNC(=O)[C@@H](OCn1cnc2c(N)nc(CN3CCCCC3)nc21)C(O)CO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ VCP P55072 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ PDE3A Q14432 1/20 0.33
▸ GSK3B P49841 1/20 0.32
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ ADORA3 P0DMS8 2/20 0.30
▸ ADORA2A P29274 2/20 0.30
▸ HSP90B1 P14625 1/20 0.30

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
SCHEMBL3478726 0.92 MEN1 (0.36) SMN1; SMN2MEN1ALDH1A1LMNACYP3A4
SCHEMBL13777735 0.85 ADORA2A (0.37) ADORA2A
SCHEMBL3478702 0.83 MEN1 (0.40) SMN1; SMN2MEN1ALDH1A1LMNACYP3A4
SCHEMBL14393328 0.83 MEN1 (0.40) SMN1; SMN2MEN1ALDH1A1LMNACYP3A4
SCHEMBL13777714 0.81 MEN1 (0.36) SMN1; SMN2MEN1ALDH1A1LMNACYP3A4
SCHEMBL13777708 0.80 MEN1 (0.34) SMN1; SMN2MEN1ALDH1A1LMNACYP3A4
SCHEMBL13625768 0.78 ADORA3 (0.32) SMN1; SMN2MEN1ALDH1A1LMNACYP3A4
SCHEMBL13777718 0.78 ADORA2A (0.36) SMN1; SMN2MEN1ALDH1A1LMNACYP3A4
SCHEMBL13777710 0.78 MEN1 (0.36) SMN1; SMN2MEN1ALDH1A1LMNACYP3A4
SCHEMBL13625863 0.78 ADORA3 (0.36) SMN1; SMN2MEN1ALDH1A1KMT2AADORA3

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-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

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-20100152127-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF ADORA2A, ADORA3, ADORA1 SMN1; SMN2 3331/4885MEN1 2054/4885ALDH1A1 635/4885

“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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