SCHEMBL3229167

SCHEMBL3229167

O=C(NNc1ccccc1F)c1cnc(-c2ccccc2)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.68
RAB9A P51151 7/20 0.53
NPC1 O15118 5/20 0.53
HPGDS O60760 1/20 0.50
P4HTM Q9NXG6 1/20 0.49
GFER P55789 1/20 0.48
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
VNN1 O95497 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
CASP3 P42574 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
P2RX7 Q99572 1/20 0.41

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
SCHEMBL3221503 0.83 HDAC3 (0.51) GAARAB9ANPC1HPGDSP4HTM
SCHEMBL7608124 0.81 GAA (1.00) GAARAB9ANPC1GFERALDH1A1
SCHEMBL3228012 0.80 PTGS2 (0.62) GAARAB9ANPC1HPGDSALDH1A1
SCHEMBL16554422 0.78 HPGDS (0.48) GAAHPGDSALDH1A1L3MBTL1HTT
SCHEMBL28871831 0.76 GAA (0.76) GAARAB9ANPC1GFERALDH1A1
SCHEMBL28871770 0.75 GAA (0.69) GAARAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL31006493 0.75 GAA (0.69) GAARAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL3222288 0.75 GAA (0.64) GAARAB9ANPC1HPGDSALDH1A1
SCHEMBL3227176 0.75 HPGDS (0.58) RAB9ANPC1HPGDSALDH1A1POLB
SCHEMBL16554297 0.74 ALDH1A1 (0.43) GAAHPGDSALDH1A1L3MBTL1HTT

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 GAA 1335/4885RAB9A 2033/4885NPC1 1657/4885

“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.