SCHEMBL3216732

SCHEMBL3216732

Cc1cn(C(N)=O)c2cnccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ELANE P08246 2/20 0.42
DYRK1A Q13627 4/20 0.41
NFATC1 O95644 2/20 0.41
GSK3B P49841 2/20 0.41
HTR6 P50406 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
SLC6A2 P23975 1/20 0.38
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CCNC P24863 3/20 0.36
CDK8 P49336 3/20 0.36
KCNH2 Q12809 1/20 0.35
HTT P42858 1/20 0.35
KDM5A P29375 1/20 0.35
CYP11B2 P19099 2/20 0.35
CYP11B1 P15538 1/20 0.35
HIPK2 Q9H2X6 1/20 0.34

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
SCHEMBL3228137 0.87 HTR6 (0.48) SIRT3TDP1ELANEHTR6SLC6A2
SCHEMBL3219630 0.81 KDM5A (0.42) SIRT3TDP1ELANEDYRK1ANFATC1
SCHEMBL3218054 0.80 DYRK1A (0.41) SIRT3TDP1ELANEDYRK1ANFATC1
SCHEMBL3228084 0.78 L3MBTL1 (0.43) ELANEHTR6ADORA3ADORA2A
SCHEMBL3231704 0.77 ELANE (0.39) SIRT3TDP1ELANEDYRK1ANFATC1
SCHEMBL3210094 0.77 ELANE (0.39) ELANEDYRK1ANFATC1GSK3BCCNC
SCHEMBL8530590 0.76 TFPI2 (0.49) HTR6SLC6A2HTT
SCHEMBL3216733 0.75 DYRK1A (0.43) SIRT3TDP1DYRK1ANFATC1GSK3B
SCHEMBL20674502 0.74 ADORA3 (0.43) SIRT3TDP1ELANEDYRK1ANFATC1
SCHEMBL3216495 0.74 SCN9A (0.38) ELANEDYRK1ANFATC1GSK3BKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP claimed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US claimed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US claimed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP claimed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO claimed
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 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-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 SIRT3 503/4885TDP1 1722/4885ELANE 2436/4885

“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.