SCHEMBL3591201

SCHEMBL3591201

Nc1nc(N)c2nc(C3CCOCC3)n(-c3cscn3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE8A O60658 1/20 0.35
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
PIK3CA P42336 1/20 0.31
DHFR P00374 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
SCHEMBL1591003 0.73 FLT3 (0.38)
SCHEMBL4444396 0.71 MAPK1 (0.38) PIK3CA
SCHEMBL2949862 0.62 ADORA2A (0.51)
SCHEMBL5392972 0.60 PIK3CA (0.35) PIK3CA
SCHEMBL31704969 0.60 PDE1A (0.36) PDE1APDE1BPDE1CPIK3CA
SCHEMBL1512058 0.59 DHFR (0.35) DHFR
SCHEMBL5808473 0.58 TNK2 (0.39) PDE8APDE1BPIK3CADHFR
SCHEMBL28344176 0.57 ALDH1A1 (0.46) PIK3CA
Hydrochloric Acid SCHEMBL5626685 0.57 AHCY (0.48) PIK3CA
SCHEMBL1512134 0.57 DHFR (0.46) PIK3CADHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2010-03-04 US claimed

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-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES ADK, PNP, DCK PDE8A 632/4885PDE1A 1568/4885PDE1B 1457/4885

“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.