SCHEMBL35211895

SCHEMBL35211895

NC(=O)c1cnc2c(n1)NCN=C2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.36
TSHR P16473 1/20 0.36
MC4R P32245 1/20 0.36
ADRA1A P35348 1/20 0.36
MC3R P41968 1/20 0.36
SIRT6 Q8N6T7 2/20 0.35
NNMT P40261 4/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL35211576 0.70 NNMT (0.45) SIRT6NNMTLMNA
SCHEMBL3286589 0.64 SIRT6 (0.47) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL27894794 0.62 ADORA3 (0.36) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL2635320 0.62 SIRT6 (0.73) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL19928751 0.60 NNMT (0.49) ADORA3TSHRMC4RADRA1AMC3R
Hydrochloric Acid SCHEMBL27917292 0.60 SIRT6 (0.70) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL31434970 0.59 SIRT6 (0.35) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL30521607 0.59 ADORA3 (0.42) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL7581332 0.59 SIRT6 (0.46) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL30441778 0.59 SIRT6 (0.46) ADORA3TSHRMC4RADRA1AMC3R

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-20260124198-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS GILEAD SCIENCES INC (US) 2026-05-07 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-20260124198-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS ZC3HAV1, CCR1, CCR6 ADORA3 1738/4885TSHR 2194/4885MC4R 3646/4885

“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.