SCHEMBL12083602

SCHEMBL12083602

O=C(NN1CCOCC1=O)c1cnc(-c2ccccc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.44
DGAT1 O75907 1/20 0.41
NPY5R Q15761 1/20 0.39
MTOR P42345 4/20 0.38
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
SRC P12931 1/20 0.37
HPGD P15428 2/20 0.37
CD274 Q9NZQ7 1/20 0.37
KDM5B Q9UGL1 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
CNR1 P21554 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 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
SCHEMBL14312357 0.84 HPGDS (0.39) HPGDSDGAT1NPY5RMTORALDH1A1
SCHEMBL12083864 0.82 HPGDS (0.46) HPGDSDGAT1NPY5RHDAC3HDAC1
SCHEMBL3223229 0.81 SMN1; SMN2 (0.54) HPGDSDGAT1ALDH1A1LMNAKMT2A
SCHEMBL3226846 0.80 HPGDS (0.46) HPGDSNPY5RHDAC3HDAC1HDAC2
SCHEMBL12083962 0.76 HPGDS (0.47) HPGDSNPY5RHDAC3HDAC1HDAC2
SCHEMBL12083860 0.74 HPGDS (0.43) HPGDSDGAT1HDAC3HDAC1HDAC2
SCHEMBL3224385 0.73 HTT (0.64) HPGDSHPGDALDH1A1LMNACNR1
SCHEMBL12083675 0.72 HPGDS (0.46) HPGDSHPGDALDH1A1MEN1LMNA
SCHEMBL3224567 0.72 HTT (0.67) HPGDSHPGDLMNACNR1
SCHEMBL12083912 0.72 HPGDS (0.39) HPGDSNPY5RMTORHDAC3HDAC1

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 6 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 disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US 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
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US 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 HPGDS 10/4885DGAT1 3570/4885NPY5R 1295/4885

“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.