SCHEMBL16465005

SCHEMBL16465005

CCOCOCOc1nc(N)nc(N)c1N

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 4/20 0.35
▸ CDK2 P24941 4/20 0.35
▸ CCNA1 P78396 4/20 0.35
▸ CDK1 P06493 3/20 0.35
▸ CCNB1 P14635 3/20 0.35
▸ NOS1 P29475 1/20 0.33
▸ MGMT P16455 3/20 0.32
▸ DHFR P00374 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ CCNB2 O95067 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATR Q13535 1/20 0.31
▸ CCNB3 Q8WWL7 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
SCHEMBL16464928 0.96 NOS1 (0.34) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL16463540 0.84 CCNA2 (0.36) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL4450496 0.81 CDK2 (0.37) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL16463543 0.81 SMN1; SMN2 (0.32) LMNASMN1; SMN2
SCHEMBL16463774 0.81 CDK1 (0.39) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL16462943 0.79 CDK1 (0.38) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL16463693 0.79 CCNA2 (0.30) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL16463330 0.78 CCNA2 (0.39) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL16464171 0.78 CDK1 (0.40) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL16463307 0.77 SMN1; SMN2 (0.33) LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906191-B1 HAIR DYE CONTAINING AMINOPYRIMIDINE DERIVATIVES HENKEL AG & CO KGAA (DE) 2018-03-28 — — EP claimed
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
EP-2906191-B1 HAIR DYE CONTAINING AMINOPYRIMIDINE DERIVATIVES HENKEL AG & CO KGAA (DE) 2018-03-28 — — EP disclosed
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 CCNA2 550/4885CDK2 671/4885CCNA1 572/4885

“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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