SCHEMBL3214218

SCHEMBL3214218

Cn1ccnc1C(=O)N1CCN(C(N)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
SLC9A1 P19634 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMYD3 Q9H7B4 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
SLC2A1 P11166 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CNR2 P34972 1/20 0.39
NAMPT P43490 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3214224 0.87 CYP3A4 (0.43) CYP3A4CYP2C9SLC9A1CYP2C19SMYD3
SCHEMBL13779954 0.87 KDM4E (0.44) CYP3A4CYP2C9SLC9A1CYP2C19SMYD3
SCHEMBL14102836 0.85 CNR1 (0.44) CYP3A4CYP2C9SLC9A1CYP2C19SMYD3
SCHEMBL29944596 0.83 CNR1 (0.47) CYP3A4CYP2C9SLC9A1CYP2C19SMYD3
SCHEMBL14085105 0.81 SIGMAR1 (0.44) CYP3A4CYP2C9SLC9A1CYP2C19SMYD3
SCHEMBL13450004 0.79 APOBEC3A (0.55) CYP3A4CYP2C9SLC9A1CYP2C19SMYD3
Iodide SCHEMBL30863970 0.77 POLB (0.52) HTTOPRD1OPRK1KMT2A
SCHEMBL14731465 0.76 SMYD3 (0.46) CYP3A4CYP2C9SLC9A1CYP2C19SMYD3
SCHEMBL17177155 0.75 PSEN1 (0.47) CYP3A4CYP2C9SLC9A1CYP2C19SMYD3
SCHEMBL284637 0.75

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 CYP3A4 398/4885CYP2C9 352/4885SLC9A1 1277/4885

“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.