SCHEMBL16485072

SCHEMBL16485072

CCCOc1nc(N)nc(NC)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 6/20 0.45
▸ CCNB1 P14635 6/20 0.45
▸ CCNA2 P20248 5/20 0.45
▸ CDK2 P24941 5/20 0.45
▸ CCNA1 P78396 5/20 0.45
▸ HSD17B10 Q99714 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ TLR8 Q9NR97 5/20 0.38
▸ TLR7 Q9NYK1 5/20 0.38
▸ PIN1 Q13526 1/20 0.38
▸ DHFR P00374 1/20 0.33
▸ PRKD3 O94806 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ MAP4K2 Q12851 1/20 0.32
▸ PKN2 Q16513 1/20 0.32
▸ MAP4K5 Q9Y4K4 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL16465508 0.86 SMN1; SMN2 (0.37) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16465050 0.85 TLR7 (0.36) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16485121 0.85 CDK1 (0.44) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16463516 0.85 APP (0.33) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16482380 0.85 TLR8 (0.35) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16464561 0.85 TLR7 (0.47) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16482305 0.84 TLR8 (0.35) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16482078 0.84 TLR7 (0.35) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16482192 0.83 CDK1 (0.37) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16482381 0.82 HRH3 (0.38) CDK1CCNB1CCNA2CDK2CCNA1

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 CDK1 1576/4885CCNB1 133/4885CCNA2 152/4885

“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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