SCHEMBL16485337

SCHEMBL16485337

CCNc1nc(N)nc(OCC)c1N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 6/20 0.36
▸ TLR8 Q9NR97 7/20 0.34
▸ TLR7 Q9NYK1 6/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ MAP4K2 Q12851 1/20 0.34
▸ PKN2 Q16513 1/20 0.34
▸ PRKD2 Q9BZL6 1/20 0.34
▸ STK17A Q9UEE5 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PGK1 P00558 1/20 0.33

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
SCHEMBL16464736 0.87 NLRP3 (0.33) NLRP3TLR8TLR7
SCHEMBL16485121 0.86 CDK1 (0.44) NLRP3TLR8TLR7PRKD3MAP4K4
SCHEMBL16482199 0.85 NLRP3 (0.34) NLRP3TLR8TLR7SMN1; SMN2LMNA
SCHEMBL16465508 0.84 SMN1; SMN2 (0.37) TLR8TLR7MAPK8MAPK9SMN1; SMN2
SCHEMBL16485348 0.84 TLR7 (0.45) NLRP3TLR8TLR7MAP4K2PGK1
SCHEMBL16485123 0.83 CDK1 (0.44) NLRP3TLR8TLR7PRKD3MAPK8
SCHEMBL16464464 0.83 TLR8 (0.36) NLRP3TLR8TLR7PRKD3MAP4K4
SCHEMBL16482355 0.82 TLR8 (0.38) NLRP3TLR8TLR7
SCHEMBL16485141 0.81 CDK1 (0.49) NLRP3TLR8TLR7
SCHEMBL16828155 0.80 SMN1; SMN2 (0.40) SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9364407-B2 Hair dye agent comprising aminopyrimidine derivatives HENKEL AG & CO. KGAA (DE) 2016-06-14 — — US disclosed
US-9364407-B2 Hair dye agent comprising aminopyrimidine derivatives HENKEL AG & CO. KGAA (DE) 2016-06-14 — — US disclosed
US-20150209257-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2015-07-30 — — US disclosed
US-20150209257-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2015-07-30 — — US disclosed
WO-2014056758-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-20150209257-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES H1-4, H1-2, QDPR NLRP3 4305/4885TLR8 990/4885TLR7 1875/4885

“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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