SCHEMBL2679158

SCHEMBL2679158

O=c1[nH]cnc2c1ncn2N1CCCC1CO

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ALB P02768 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ PNP P00491 7/20 0.44
▸ HPRT1 P00492 8/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL2679155 0.76 CDK1 (0.33) ADORA3
SCHEMBL13813965 0.71 PNP (0.50) ALDH1A1LMNAALBMAPK1PNP
SCHEMBL4250337 0.71 PNP (0.50) ALDH1A1LMNAALBMAPK1PNP
SCHEMBL1573049 0.71 PNP (0.50) ALDH1A1LMNAALBMAPK1PNP
SCHEMBL13801673 0.71 PNP (0.50) ALDH1A1LMNAALBMAPK1PNP
SCHEMBL9308280 0.68 ALDH1A1 (0.60) ALDH1A1LMNAALBMAPK1PNP
SCHEMBL9309643 0.67 ALDH1A1 (0.60) ALDH1A1LMNAALBMAPK1PNP
SCHEMBL8340810 0.67 ADORA3 (0.47) ALDH1A1LMNAALBMAPK1PNP
SCHEMBL8922846 0.67 ALDH1A1 (0.69) ALDH1A1LMNAALBMAPK1PNP
SCHEMBL9309828 0.67 ALDH1A1 (0.59) ALDH1A1LMNAALBMAPK1PNP

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-8173662-B2 Fused pyrimidines as inhibitors of nucleoside phosphorylases and nucleosidases INDUSTRIAL RESEARCH LIMITED (NZ) 2012-05-08 — — US disclosed
US-20090239885-A1 Inhibitors of nucleoside phoshorylases and nucleosidases BIOCRYST PHARMACEUTICALS, INC. 2009-09-24 — — 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-20090239885-A1 Inhibitors of nucleoside phoshorylases and nucleosidases PNP, MTAP, TYMP ALDH1A1 2578/4885LMNA 2316/4885ALB 4210/4885

“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.

Send feedback