Sugi Predict

Sugi Predict / Compounds / SCHEMBL5508013

SCHEMBL5508013

SCHEMBL5508013

C#C[C@H]1O[C@@H](n2cnc3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.70
▸ ALDH1A1 P00352 1/20 0.70
▸ GLA P06280 1/20 0.70
▸ PMP22 Q01453 1/20 0.70
▸ SMN1; SMN2 Q16637 1/20 0.70
▸ NPC1 O15118 1/20 0.70
▸ NPY1R P25929 1/20 0.70
▸ HTT P42858 1/20 0.70
▸ NPY2R P49146 1/20 0.70
▸ RAB9A P51151 1/20 0.70
▸ SLC29A1 Q99808 1/20 0.70
▸ RXFP1 Q9HBX9 1/20 0.70
▸ CYP1A2 P05177 1/20 0.70
▸ TSHR P16473 1/20 0.70
▸ NFKB1 P19838 1/20 0.70
▸ MAPK1 P28482 1/20 0.70
▸ CYP2C19 P33261 1/20 0.70
▸ THPO P40225 1/20 0.70
▸ AHCY P23526 1/20 0.63
▸ DNPH1 O43598 1/20 0.61

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
SCHEMBL5509078 0.90 AHCY (0.61) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL6257609 0.90 AHCY (0.61) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL5504127 0.89 AHCY (0.58) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL6257340 0.87 AHCY (0.60) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL6257355 0.86 ADORA1 (0.59) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL5509116 0.85 ADORA3 (0.72) SLC29A1TSHRAHCYDNPH1ADORA2A
SCHEMBL6260221 0.83 ADORA3 (0.73) LMNASLC29A1TSHRNFKB1MAPK1
SCHEMBL5506333 0.83 LMNA (0.61) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL6261537 0.82 AHCY (0.57) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL6257595 0.82 AHCY (0.57) LMNAALDH1A1GLAPMP22SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537133-B1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS INC (US) 2007-07-25 — — EP disclosed
US-20060135467-A1 Partial and full agonists of A1 adenosine receptors ZABLOCKI JEFF 2006-06-22 — — US disclosed
US-7022681-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2006-04-04 — — US disclosed
EP-1537133-A2 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2005-06-08 — — EP disclosed
US-20040043960-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. 2004-03-04 — — US disclosed
WO-2004016635-A2 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2004-02-26 — — WO 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-20060135467-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 LMNA 1524/4885ALDH1A1 528/4885GLA 3982/4885
US-20040043960-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 LMNA 1638/4885ALDH1A1 500/4885GLA 3989/4885

“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.