SCHEMBL3216629

SCHEMBL3216629

CN(N)c1cc(C(F)(F)F)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.53
NOS2 P35228 1/20 0.53
ADRB1 P08588 1/20 0.41
HRH4 Q9H3N8 3/20 0.40
GAA P10253 3/20 0.39
ADRB2 P07550 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLQ O75417 1/20 0.37
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAK O14976 1/20 0.35
RIPK2 O43353 1/20 0.35
STK16 O75716 1/20 0.35
EGFR P00533 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
BMP2K Q9NSY1 1/20 0.35
NLK Q9UBE8 1/20 0.35
IRAK3 Q9Y616 1/20 0.35
TSHR P16473 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
SCHEMBL1344896 0.85 NOS3 (0.52) NOS3NOS2ADRB1HRH4GAA
SCHEMBL8979102 0.79 NOS3 (0.46) NOS3NOS2ADRB1HRH4GAA
SCHEMBL30695508 0.79 NOS3 (0.46) NOS3NOS2ADRB1HRH4GAA
SCHEMBL14547839 0.77 NOS3 (0.44) NOS3NOS2ADRB1HRH4GAA
SCHEMBL27799117 0.76 NOS3 (0.47) NOS3NOS2ADRB1HRH4GAA
SCHEMBL13570887 0.76 POLQ (0.45) NOS3NOS2GAAPOLQALDH1A1
SCHEMBL23839470 0.74 AR (0.48) NOS3NOS2ADRB1HRH4GAA
SCHEMBL2787089 0.72 L3MBTL1 (0.47) GAANPSR1MAPK1ALDH1A1L3MBTL1
SCHEMBL19192034 0.72 CYP1A2 (0.41) NOS3NOS2ADRB2POLQMAPK1
SCHEMBL8133867 0.71 NOS3 (0.38) NOS3NOS2ADRB1HRH4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101646656-A Pyrimidine hydrazide compounds as the PGDS inhibitor SANOFI AVENTIS FR 2010-02-10 CN claimed
CN-101646656-B Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI AVENTIS SPA 2013-08-14 CN 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
CN-101646656-A Pyrimidine hydrazide compounds as the PGDS inhibitor SANOFI AVENTIS FR 2010-02-10 CN 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 NOS3 1173/4885NOS2 1305/4885ADRB1 98/4885

“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.