SCHEMBL16464928

SCHEMBL16464928

CCOCOc1nc(N)nc(N)c1N

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 2/20 0.34
▸ CDK2 P24941 6/20 0.33
▸ CDK1 P06493 6/20 0.33
▸ CCNB1 P14635 6/20 0.33
▸ CCNA2 P20248 5/20 0.33
▸ CCNA1 P78396 5/20 0.33
▸ DHFR P00374 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ MGMT P16455 1/20 0.30
▸ PIN1 Q13526 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL16465005 0.96 CCNA2 (0.35) NOS1CDK2CDK1CCNB1CCNA2
SCHEMBL4450496 0.84 CDK2 (0.37) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL16463540 0.84 CCNA2 (0.36) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL16463774 0.84 CDK1 (0.39) NOS1CDK2CDK1CCNB1CCNA2
SCHEMBL16462943 0.82 CDK1 (0.38) NOS1CDK2CDK1CCNB1CCNA2
SCHEMBL16463693 0.81 CCNA2 (0.30) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL16463330 0.81 CCNA2 (0.39) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL16464171 0.81 CDK1 (0.40) NOS1CDK2CDK1CCNB1CCNA2
SCHEMBL16463307 0.80 SMN1; SMN2 (0.33) SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL16463835 0.80 CDK1 (0.39) NOS1CDK2CDK1CCNB1CCNA2

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 NOS1 3511/4885CDK2 671/4885CDK1 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.

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