SCHEMBL3223469

SCHEMBL3223469

NC(=O)n1cc(CC(F)(F)F)c2ncccc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.38
ELANE P08246 2/20 0.36
KDM4E B2RXH2 1/20 0.35
RORC P51449 1/20 0.33
BRD4 O60885 2/20 0.33
MAPK14 Q16539 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
SCN9A Q15858 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
AHR P35869 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL3228768 0.81 PARP1 (0.38) PARP1ELANEKDM4EBRD4MAPK14
SCHEMBL3220693 0.79 PARP1 (0.41) PARP1ELANEKDM4ERORCADORA2A
SCHEMBL3223476 0.79 KDM4E (0.32) KDM4EBRD4L3MBTL1NPC1RAB9A
SCHEMBL3222295 0.78 PARP1 (0.44) PARP1ELANE
SCHEMBL3223274 0.75 PARP1 (0.45) PARP1ELANEKDM4EL3MBTL1NPC1
SCHEMBL3216995 0.73 PARP1 (0.41) PARP1ELANEKDM4ERORCMAPK14
SCHEMBL3226537 0.73 SCN9A (0.40) ELANESCN9A
SCHEMBL3219724 0.73 ELANE (0.37) ELANESCN9A
SCHEMBL6644401 0.73 KDM4E (0.46) PARP1ELANEKDM4EL3MBTL1EGLN1
SCHEMBL6216786 0.69 PARP1 (0.53) PARP1ELANEKDM4EL3MBTL1EGLN1

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 PARP1 295/4885ELANE 2436/4885KDM4E 2494/4885

“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.