SCHEMBL3228012

SCHEMBL3228012

O=C(NNc1ccccc1)c1cnc(-c2ccccc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.62
HPGDS O60760 1/20 0.56
ALDH1A1 P00352 5/20 0.50
GAA P10253 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP3A4 P08684 1/20 0.46
ALOX5 P09917 1/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 3/20 0.46

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
SCHEMBL3220192 0.85 GAA (0.71) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL16554422 0.84 HPGDS (0.48) PTGS2HPGDSALDH1A1GAASMN1; SMN2
SCHEMBL3222288 0.81 GAA (0.64) HPGDSALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL3227176 0.81 HPGDS (0.58) HPGDSALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL3221503 0.80 HDAC3 (0.51) PTGS2HPGDSALDH1A1GAASMN1; SMN2
SCHEMBL3229167 0.80 GAA (0.68) HPGDSALDH1A1GAASMN1; SMN2MEN1
SCHEMBL31306411 0.78 BCAT1 (0.64) PTGS2HPGDSALDH1A1GAASMN1; SMN2
SCHEMBL425101 0.78 PTGS2 (1.00) PTGS2ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL3223223 0.78 HPGDS (0.54) HPGDSALDH1A1GAASMN1; SMN2MEN1
SCHEMBL27773683 0.78 HPGDS (0.54) HPGDSALDH1A1GAASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
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
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 PTGS2 129/4885HPGDS 10/4885ALDH1A1 298/4885

“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.