SCHEMBL16482355

SCHEMBL16482355

CCNc1nc(N)nc(OCCNC)c1N

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 12/20 0.38
▸ TLR7 Q9NYK1 8/20 0.38
▸ CDK1 P06493 3/20 0.33
▸ CCNB1 P14635 3/20 0.33
▸ CCNA2 P20248 3/20 0.33
▸ CDK2 P24941 3/20 0.33
▸ CCNA1 P78396 3/20 0.33
▸ NLRP3 Q96P20 2/20 0.33
▸ PIN1 Q13526 1/20 0.32
▸ HRH3 Q9Y5N1 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
SCHEMBL16482380 0.86 TLR8 (0.35) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL16485121 0.86 CDK1 (0.44) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL16482199 0.84 NLRP3 (0.34) TLR8TLR7NLRP3
SCHEMBL16464464 0.83 TLR8 (0.36) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL16485337 0.82 NLRP3 (0.36) TLR8TLR7NLRP3
SCHEMBL16485141 0.81 CDK1 (0.49) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL16482381 0.80 HRH3 (0.38) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL16481998 0.79 TLR7 (0.48) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL16462459 0.79 CCNA2 (0.39) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16482305 0.79 TLR8 (0.35) 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 3 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 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 TLR8 3565/4885TLR7 3911/4885CDK1 507/4885

“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.

Send feedback