SCHEMBL3228137

SCHEMBL3228137

Cc1cn(C(N)=O)c2ccncc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.48
SIRT3 Q9NTG7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ELANE P08246 7/20 0.42
HTT P42858 2/20 0.38
CCNC P24863 3/20 0.36
CDK8 P49336 3/20 0.36
SLC6A2 P23975 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP11B2 P19099 2/20 0.35
CYP11B1 P15538 1/20 0.35
CFD P00746 2/20 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
SCHEMBL3216732 0.87 SIRT3 (0.45) HTR6SIRT3TDP1ELANEHTT
SCHEMBL3216594 0.80 ELANE (0.39) HTR6SIRT3TDP1ELANEHTT
SCHEMBL3222887 0.78 L3MBTL1 (0.45) HTR6ELANE
SCHEMBL3219392 0.77 ELANE (0.45) ELANECYP11B2CFD
SCHEMBL3226977 0.77 ELANE (0.39) HTR6SIRT3TDP1ELANEHTT
SCHEMBL8530590 0.76 TFPI2 (0.49) HTR6HTTSLC6A2KDM4E
SCHEMBL3213736 0.75 HTR6 (0.51) HTR6SIRT3TDP1ELANEHTT
SCHEMBL20674513 0.74 HTR6 (0.47) HTR6SIRT3TDP1ELANESLC6A2
SCHEMBL3213065 0.74 ELANE (0.37) HTR6ELANEHTTKDM4ECFD
SCHEMBL3219724 0.74 ELANE (0.37) HTR6ELANEHTTCFD

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 HTR6 609/4885SIRT3 503/4885TDP1 1722/4885

“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.