SCHEMBL16828232

SCHEMBL16828232

CCOc1nc(N)nc(OCNC)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CDK1 P06493 3/20 0.31
▸ CCNB1 P14635 3/20 0.31
▸ CCNA2 P20248 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ CCNA1 P78396 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ PIN1 Q13526 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
SCHEMBL16828155 0.86 SMN1; SMN2 (0.40) SMN1; SMN2LMNAKDM4EHPGDHTT
SCHEMBL16828168 0.86 CDK1 (0.45) SMN1; SMN2LMNAMAPK8HTTNPC1
SCHEMBL16828189 0.85 CCNA2 (0.37) SMN1; SMN2LMNAALDH1A1CCNA2CDK2
Hydrochloric Acid SCHEMBL16828217 0.84 SMN1; SMN2 (0.39) SMN1; SMN2LMNAKDM4EHPGDHTT
SCHEMBL16462506 0.83 CCNA2 (0.34) SMN1; SMN2LMNAALDH1A1CDK1CCNB1
SCHEMBL16828182 0.81 CDK1 (0.47) LMNAMAPK8ALDH1A1CDK1CCNB1
SCHEMBL16481914 0.80 CHUK (0.30) —
SCHEMBL16482199 0.80 NLRP3 (0.34) SMN1; SMN2LMNA
SCHEMBL16852182 0.79 SMN1; SMN2 (0.36) SMN1; SMN2LMNAKDM4EHPGDNPC1
SCHEMBL16828159 0.79 CCNA2 (0.40) SMN1; SMN2LMNAKDM4EHPGDNPC1

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 9 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
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
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 SMN1; SMN2 4219/4885LMNA 1885/4885KDM4E 1574/4885

“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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