SCHEMBL3228768

SCHEMBL3228768

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.38
ELANE P08246 2/20 0.36
KDM4E B2RXH2 1/20 0.35
SCN9A Q15858 1/20 0.34
MAPK14 Q16539 1/20 0.33
ROCK2 O75116 1/20 0.33
REN P00797 2/20 0.32
BRD4 O60885 1/20 0.32
CFD P00746 3/20 0.32
LIMK1 P53667 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
SCHEMBL3223469 0.81 PARP1 (0.38) PARP1ELANEKDM4ESCN9AMAPK14
SCHEMBL3216995 0.79 PARP1 (0.41) PARP1ELANEKDM4EMAPK14CFD
SCHEMBL3228773 0.79 SCN9A (0.34) KDM4ESCN9ABRD4
SCHEMBL3226181 0.78 PARP1 (0.44) PARP1ELANE
SCHEMBL3223274 0.75 PARP1 (0.45) PARP1ELANEKDM4ELIMK1
SCHEMBL3220693 0.73 PARP1 (0.41) PARP1ELANEKDM4E
SCHEMBL3216495 0.73 SCN9A (0.38) ELANESCN9ACFD
SCHEMBL3213065 0.73 ELANE (0.37) ELANEKDM4ESCN9ARENCFD
SCHEMBL6644401 0.73 KDM4E (0.46) PARP1ELANEKDM4E
SCHEMBL6216786 0.69 PARP1 (0.53) PARP1ELANEKDM4ELIMK1

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.