SCHEMBL16852189

SCHEMBL16852189

Nc1nc(OC(=O)c2ccccc2)c(N)c(OC(=O)c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
PARP10 Q53GL7 1/20 0.47
LMNA P02545 2/20 0.47
F2 P00734 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
NLRP1 Q9C000 1/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 1/20 0.41
GAA P10253 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL18128336 0.88 ALDH1A1 (0.41) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL16852210 0.85 LMNA (0.49) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL16852129 0.84 CDK1 (0.42) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6277127 0.81 MAPT (0.47) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL2930274 0.78 CDK1 (0.42) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL2930276 0.78 CDK1 (0.62) LMNATSHR
SCHEMBL1273211 0.74 LMNA (0.56) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL27548231 0.73 PARP10 (0.54) KMT2AMAPTMEN1TDP1PARP10
Benzoic Acid SCHEMBL28879223 0.71 TSHR (0.67) KMT2AMAPTTDP1SMN1; SMN2ALDH1A1
SCHEMBL5551848 0.71 LMNA (0.64) KMT2AMAPTMEN1TDP1PARP10

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
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-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

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 KMT2A 2087/4885MAPT 1645/4885MEN1 4720/4885

“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.