SCHEMBL16463516

SCHEMBL16463516

CNc1nc(N)nc(OCCO)c1N

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.33
▸ DHPS P49366 2/20 0.32
▸ TLR8 Q9NR97 4/20 0.32
▸ TLR7 Q9NYK1 3/20 0.32
▸ CDK1 P06493 6/20 0.32
▸ CCNB1 P14635 6/20 0.32
▸ CCNA2 P20248 5/20 0.32
▸ CDK2 P24941 5/20 0.32
▸ CCNA1 P78396 5/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ IKBKB O14920 1/20 0.32
▸ PIN1 Q13526 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
SCHEMBL16465235 0.91 APP (0.37) APPTLR8TLR7
SCHEMBL16462888 0.90 CDK1 (0.35) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL16462886 0.86 ADORA3 (0.33) ADORA3ADORA1
SCHEMBL16464333 0.85 CDK1 (0.33) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL16485072 0.85 CDK1 (0.45) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL16464464 0.84 TLR8 (0.36) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL16482380 0.83 TLR8 (0.35) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL16464561 0.83 TLR7 (0.47) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL16852165 0.82 CDK1 (0.35) DHPSCDK1CCNB1CCNA2CDK2
SCHEMBL16465508 0.81 SMN1; SMN2 (0.37) TLR8TLR7CDK1CCNB1CCNA2

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-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
US-9364408-B2 Hair dye agent comprising aminopyrimidine derivatives HENKEL AG & CO. KGAA (DE) 2016-06-14 — — US disclosed
US-9364408-B2 Hair dye agent comprising aminopyrimidine derivatives HENKEL AG & CO. KGAA (DE) 2016-06-14 — — US disclosed
US-20150209258-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2015-07-30 — — US disclosed
US-20150209258-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2015-07-30 — — US disclosed
WO-2014056760-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2014-04-17 — — 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 (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 APP 2946/4885DHPS 98/4885TLR8 3565/4885

“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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