SCHEMBL4892053

SCHEMBL4892053

CCn1c(CNC(N)=O)nc(C(C)C)c1Sc1cc(C#N)cc(C#N)c1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.31
SLC2A1 P11166 1/20 0.31
SLC2A2 P11168 1/20 0.31
SLC2A3 P11169 1/20 0.31
SLC2A4 P14672 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
SCHEMBL4896675 0.85 TLR7 (0.31)
SCHEMBL6974137 0.84 CYP2C9 (0.32)
SCHEMBL6961868 0.84 F2 (0.31)
SCHEMBL4900370 0.84 SMN1; SMN2 (0.33) IRAK4
SCHEMBL4900191 0.84 HSP90B1 (0.32)
SCHEMBL4900565 0.84 HSP90B1 (0.30)
SCHEMBL7086092 0.82 LMNA (0.35)
SCHEMBL4899905 0.82
SCHEMBL5407083 0.80 IRAK4 (0.33) IRAK4
SCHEMBL5243251 0.80 HTR2C (0.32)

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-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids PFIZER INC. (US) 2008-06-05 US disclosed
US-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids PFIZER INC. (US) 2008-06-05 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-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids SPR, TPMT, IMPDH1 IRAK4 1317/4885SLC2A1 2638/4885SLC2A2 2887/4885

“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.