SCHEMBL16828165

SCHEMBL16828165

COc1nc(N)nc(OCN)c1N

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CCNA1 P78396 2/20 0.40
▸ NUDT1 P36639 2/20 0.32
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ PIK3CA P42336 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ HSP90AB1 P08238 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ ATM Q13315 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
SCHEMBL16828215 0.89 CDK1 (0.31) CCNA2CDK2CCNA1NUDT1CDK1
SCHEMBL16828162 0.84 CCNA2 (0.50) CCNA2CDK2CCNA1NUDT1TLR8
SCHEMBL16828159 0.83 CCNA2 (0.40) CCNA2CDK2CCNA1NUDT1TLR8
SCHEMBL16852182 0.83 SMN1; SMN2 (0.36) CCNA2CDK2CCNA1NUDT1CDK1
Hydrochloric Acid SCHEMBL16828222 0.82 CCNA2 (0.48) CCNA2CDK2CCNA1NUDT1TLR8
SCHEMBL16828186 0.82 CCNA2 (0.39) CCNA2CDK2CCNA1NUDT1TLR8
SCHEMBL16828209 0.80 CDK1 (0.49) CCNA2CDK2CCNA1TLR8TLR7
SCHEMBL16828244 0.80 CDK1 (0.49) CCNA2CDK2CCNA1TLR8TLR7
SCHEMBL16828240 0.79 CDK1 (0.50) CCNA2CDK2CCNA1TLR8CDK1
SCHEMBL16828189 0.79 CCNA2 (0.37) CCNA2CDK2CCNA1TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636288-B2 Means for oxidative dyeing of keratin fibers containing novel tetra-substituted derivatives of pyrimidine HENKEL AG & CO. KGAA (DE) 2017-05-02 — — US disclosed
US-9636288-B2 Means for oxidative dyeing of keratin fibers containing novel tetra-substituted derivatives of pyrimidine HENKEL AG & CO. KGAA (DE) 2017-05-02 — — US disclosed
EP-3082751-A1 MEANS FOR OXIDATIVE DYEING OF KERATIN FIBERS CONTAINING NOVEL TETRA-SUBSTITUTED DERIVATIVES OF PYRIMIDINE Henkel AG & Co. KGaA (DE) 2016-10-26 — — EP disclosed
US-20160296447-A1 MEANS FOR OXIDATIVE DYEING OF KERATIN FIBERS CONTAINING NOVEL TETRA-SUBSTITUTED DERIVATIVES OF PYRIMIDINE HENKEL AG & CO. KGAA (DE) 2016-10-13 — — US disclosed
US-20160296447-A1 MEANS FOR OXIDATIVE DYEING OF KERATIN FIBERS CONTAINING NOVEL TETRA-SUBSTITUTED DERIVATIVES OF PYRIMIDINE HENKEL AG & CO. KGAA (DE) 2016-10-13 — — US disclosed
WO-2015090292-A1 MEANS FOR OXIDATIVE DYEING OF KERATIN FIBERS CONTAINING NOVEL TETRA-SUBSTITUTED DERIVATIVES OF PYRIMIDINE HENKEL AG & CO. KGAA (DE) 2015-06-25 — — WO disclosed
WO-2015090292-A1 MEANS FOR OXIDATIVE DYEING OF KERATIN FIBERS CONTAINING NOVEL TETRA-SUBSTITUTED DERIVATIVES OF PYRIMIDINE HENKEL AG & CO. KGAA (DE) 2015-06-25 — — 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-20160296447-A1 MEANS FOR OXIDATIVE DYEING OF KERATIN FIBERS CONTAINING NOVEL TETRA-SUBSTITUTED DERIVATIVES OF PYRIMIDINE KRT18, TK1, DPYD CCNA2 732/4885CDK2 1433/4885CCNA1 731/4885

“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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