SCHEMBL3221693

SCHEMBL3221693

Nn1cc(C(F)F)c2cccnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
MAPT P10636 2/20 0.36
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
HIF1A Q16665 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 2/20 0.32
MPI P34949 1/20 0.32
IDO1 P14902 1/20 0.32
PSMB5 P28074 1/20 0.32
HTR6 P50406 2/20 0.32
ELANE P08246 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LDHA P00338 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL3222555 0.83 FEN1 (0.34) KDM4EMAPTHSP90AA1KMT2AMEN1
SCHEMBL3221687 0.76 PARP1 (0.48) KDM4EELANEFEN1
SCHEMBL3226183 0.76 HTR3A (0.32) KDM4ELMNAHTTL3MBTL1HPGD
SCHEMBL3213880 0.74 SLC6A2 (0.43) KDM4EMAPTHSP90AA1LMNAHTT
SCHEMBL18633919 0.73 ELANE (0.43) KDM4EMAPTHSP90AA1HSP90AB1KMT2A
SCHEMBL3216998 0.72 HSP90AA1 (0.32) KDM4EMAPTHSP90AA1HSP90AB1KMT2A
SCHEMBL3228253 0.72 HTR6 (0.42) KDM4EKMT2AMEN1HTR6ELANE
SCHEMBL3229638 0.71 IDO1 (0.39) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL23892921 0.69 KDM4E (0.36) KDM4EMAPTHSP90AA1HSP90AB1KMT2A
SCHEMBL3210383 0.69 ELANE (0.40) KDM4EL3MBTL1HPGDHTR6ELANE

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 KDM4E 2494/4885MAPT 1931/4885HSP90AA1 2661/4885

“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.