SCHEMBL5744489

SCHEMBL5744489

O=C1NCC(=O)c2ncn(Cc3ccccc3)c2N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GDA Q9Y2T3 2/20 0.51
▸ CYP11B2 P19099 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ TNF P01375 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ PNP P00491 2/20 0.39
▸ PARN O95453 1/20 0.39
▸ CNOT7 Q9UIV1 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ BRD4 O60885 1/20 0.38

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
SCHEMBL14105484 0.71 CYP11B2 (0.41) GDACYP11B2SMN1; SMN2KDM4CADORA2B
SCHEMBL16068380 0.67 CYP11B2 (0.54) GDACYP11B2SMN1; SMN2KDM4CADORA2B
SCHEMBL15624418 0.65 CYP11B2 (0.49) GDACYP11B2SMN1; SMN2KDM4CADORA2B
SCHEMBL15624462 0.64 CYP11B2 (0.45) GDACYP11B2SMN1; SMN2KDM4CADORA2B
SCHEMBL30595217 0.63 PARN (0.54) CYP11B2SMN1; SMN2KDM4CADORA2BRXFP1
SCHEMBL22751731 0.61 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL9698769 0.61 PTGS2 (0.61) CYP11B2TNFCYP11B1GSK3BLMNA
Hydantoin SCHEMBL4914979 0.61 GSK3A (0.77) SMN1; SMN2GSK3AGSK3BGAA
SCHEMBL21186576 0.61 GDA (0.43) GDACYP11B2SMN1; SMN2KDM4CADORA2B
SCHEMBL7459635 0.60 BRD4 (0.62) SMN1; SMN2ADORA2BRXFP1PNPPARN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060241065-A1 Ring-expanded nucleosides and nucleotides UNIVERSITY OF MARYLAND, BALTIMORE COUNTY 2006-10-26 — — US disclosed
EP-1227103-B1 Ring-expanded nucleosides and nucleotides NABI (US) 2006-07-26 — — EP disclosed
US-20040077564-A1 Ring expanded nucleosides and nucleotides UNIVERSITY OF MARYLAND, BALTIMORE COUNTY 2004-04-22 — — US disclosed
US-6677310-B1 ANTICARCINOGENIC AGENTS; BACTERICIDES, FUNGICIDES, PARASITICIDES; VIRICIDES AGAINST HEPATITIS, EPSTEIN-BARR, CYTOMEGALO AND HUMAN IMMUNODEFICIENCY VIRUS NABI 2004-01-13 — — US disclosed
EP-0724587-B8 RING-EXPANDED NUCLEOSIDES AND NUCLEOTIDES NABI (US) 2003-01-29 — — EP disclosed
EP-0724587-B1 RING-EXPANDED NUCLEOSIDES AND NUCLEOTIDES NABI (US) 2002-09-04 — — EP disclosed
EP-0724587-A4 RING-EXPANDED NUCLEOSIDES AND NUCLEOTIDES BURNS BARRY (US) 1996-12-27 — — EP disclosed
EP-0724587-A1 RING-EXPANDED NUCLEOSIDES AND NUCLEOTIDES Burns, Barry (US) 1996-08-07 — — EP disclosed
WO-1995009175-A1 RING-EXPANDED NUCLEOSIDES AND NUCLEOTIDES BURNS BARRY (US) 1995-04-06 — — 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-20060241065-A1 Ring-expanded nucleosides and nucleotides PNP, UMPS, ADA GDA 53/4885CYP11B2 2629/4885SMN1; SMN2 2695/4885
US-20040077564-A1 Ring expanded nucleosides and nucleotides PNP, PAICS, UMPS GDA 49/4885CYP11B2 2268/4885SMN1; SMN2 2686/4885

“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