SCHEMBL16462886

SCHEMBL16462886

CNc1nc(N)nc(OCO)c1N

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ NUDT1 P36639 3/20 0.33
▸ CHUK O15111 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
SCHEMBL16463705 0.87 ADORA3 (0.30) ADORA3ADORA1
SCHEMBL16463516 0.86 APP (0.33) ADORA3ADORA1
SCHEMBL16465508 0.84 SMN1; SMN2 (0.37) NUDT1CHUK
SCHEMBL16462888 0.83 CDK1 (0.35) ADORA3ADORA1NUDT1CHUK
SCHEMBL16481914 0.82 CHUK (0.30) CHUK
SCHEMBL16465235 0.81 APP (0.37) —
SCHEMBL16482165 0.81 TLR8 (0.33) —
SCHEMBL16485072 0.81 CDK1 (0.45) —
SCHEMBL16852215 0.80 NUDT1 (0.34) NUDT1
SCHEMBL16482380 0.79 TLR8 (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9364408-B2 Hair dye agent comprising aminopyrimidine derivatives HENKEL AG & CO. KGAA (DE) 2016-06-14 — — US claimed
EP-2906191-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES Henkel AG&Co. KGAA (DE) 2015-08-19 — — EP claimed
US-20150209258-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2015-07-30 — — US claimed
WO-2014056760-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2014-04-17 — — WO 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-20150209258-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES KRT18, DPYD, DHFR ADORA3 3000/4885ADORA1 2188/4885NUDT1 284/4885

“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.

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