SCHEMBL3216995

SCHEMBL3216995

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.41
ELANE P08246 2/20 0.39
KDM4E B2RXH2 3/20 0.37
RORC P51449 3/20 0.33
LIMK1 P53667 1/20 0.33
SSTR4 P31391 1/20 0.33
CFD P00746 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK14 Q16539 2/20 0.32
KDM6B O15054 1/20 0.32
KDM6A O15550 1/20 0.32
TET3 O43151 1/20 0.32
KDM4A O75164 1/20 0.32
KDM4B O94953 1/20 0.32
KDM5C P41229 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
TET2 Q6N021 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
TET1 Q8NFU7 1/20 0.32
FTO Q9C0B1 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 0.79 PARP1 (0.38) PARP1ELANEKDM4ELIMK1CFD
SCHEMBL3223274 0.78 PARP1 (0.45) PARP1ELANEKDM4ELIMK1L3MBTL1
SCHEMBL3220693 0.77 PARP1 (0.41) PARP1ELANEKDM4ERORC
SCHEMBL3221687 0.77 PARP1 (0.48) PARP1ELANEKDM4E
SCHEMBL3216998 0.76 HSP90AA1 (0.32) KDM4EL3MBTL1MAPK14
SCHEMBL6644401 0.76 KDM4E (0.46) PARP1ELANEKDM4EL3MBTL1KDM6B
SCHEMBL29897163 0.74 ELANE (0.44) ELANEKDM4EL3MBTL1KDM6BKDM6A
SCHEMBL3223469 0.73 PARP1 (0.38) PARP1ELANEKDM4ERORCL3MBTL1
SCHEMBL6216786 0.72 PARP1 (0.53) PARP1ELANEKDM4ELIMK1L3MBTL1
SCHEMBL3226977 0.71 ELANE (0.39) ELANEKDM4ECFD

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.