SCHEMBL16463170

SCHEMBL16463170

COCCOCCOc1nc(N)nc(N)c1N=O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.63
CCNA2 P20248 7/20 0.63
CCNA1 P78396 7/20 0.63
CDK1 P06493 6/20 0.63
CCNB1 P14635 5/20 0.63
MGMT P16455 3/20 0.52
MEN1 O00255 1/20 0.50
CCNB2 O95067 1/20 0.50
MTOR P42345 1/20 0.50
KMT2A Q03164 1/20 0.50
ATR Q13535 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50
TSHR P16473 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL20007219 0.83 CDK2 (0.45) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL16463883 0.80 TSHR (0.39) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL2056438 0.79 CCNA2 (0.67) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL16463323 0.78 CDK2 (0.66) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL4454204 0.78 CDK2 (0.66) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL16465651 0.78 CDK2 (1.00) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL16464949 0.76 CDK2 (1.00) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL16462614 0.74 TSHR (0.42) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL16464209 0.74 CDK2 (0.73) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL7988070 0.71 CDK2 (0.77) CDK2CCNA2CCNA1CDK1CCNB1

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 disclosed
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-9364408-B2 Hair dye agent comprising aminopyrimidine derivatives HENKEL AG & CO. KGAA (DE) 2016-06-14 US disclosed
EP-2906191-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES Henkel AG&Co. KGAA (DE) 2015-08-19 EP 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
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
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 CDK2 671/4885CCNA2 550/4885CCNA1 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.