SCHEMBL16465508

SCHEMBL16465508

CCOc1nc(N)nc(NC)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NUDT1 P36639 2/20 0.33
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ TLR8 Q9NR97 3/20 0.32
▸ TLR7 Q9NYK1 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CDK1 P06493 3/20 0.31
▸ CCNB1 P14635 3/20 0.31
▸ CCNA2 P20248 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ CCNA1 P78396 2/20 0.31
▸ CHUK O15111 1/20 0.31
▸ MAPT P10636 2/20 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
SCHEMBL16463307 0.86 SMN1; SMN2 (0.33) SMN1; SMN2LMNAKDM4EHPGDNUDT1
SCHEMBL16485072 0.86 CDK1 (0.45) SMN1; SMN2LMNAMAPK8TLR8TLR7
SCHEMBL16465050 0.85 TLR7 (0.36) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL16482078 0.84 TLR7 (0.35) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL16463543 0.84 SMN1; SMN2 (0.32) SMN1; SMN2LMNAKDM4EHPGDTLR7
SCHEMBL11700289 0.84 CCNA2 (0.32) MAPK8MAPK9CCNA2CDK2CCNA1
SCHEMBL16485337 0.84 NLRP3 (0.36) SMN1; SMN2LMNAMAPK8MAPK9TLR8
SCHEMBL16481914 0.84 CHUK (0.30) CHUK
SCHEMBL16462886 0.84 ADORA3 (0.33) NUDT1CHUK
SCHEMBL16482200 0.83 — —

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 7 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
EP-2906192-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES Henkel AG&Co. KGAA (DE) 2015-08-19 — — EP 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
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 SMN1; SMN2 4672/4885LMNA 1068/4885KDM4E 358/4885

“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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