SCHEMBL16464171

SCHEMBL16464171

CCOCCCOc1nc(N)nc(N)c1N

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 6/20 0.40
▸ CCNB1 P14635 6/20 0.40
▸ CCNA2 P20248 5/20 0.40
▸ CDK2 P24941 5/20 0.40
▸ CCNA1 P78396 5/20 0.40
▸ PIN1 Q13526 1/20 0.40
▸ DHFR P00374 6/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ NCF1 P14598 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL16463835 0.98 CDK1 (0.39) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16463774 0.90 CDK1 (0.39) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16462943 0.88 CDK1 (0.38) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16463779 0.85 DHFR (0.37) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL11699945 0.84 CDK1 (0.54) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16462790 0.83 DHFR (0.39) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16463304 0.82 DHFR (0.34) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16482192 0.81 CDK1 (0.37) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16464928 0.81 NOS1 (0.34) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL11700870 0.80 CDK1 (0.50) 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 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 CDK1 507/4885CCNB1 239/4885CCNA2 550/4885

“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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