SCHEMBL3226537

SCHEMBL3226537

NC(=O)n1cc(CC(F)(F)F)c2ccncc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.40
ELANE P08246 3/20 0.37
PTGER1 P34995 1/20 0.34
ROCK2 O75116 2/20 0.34
CFD P00746 4/20 0.33
DYRK1A Q13627 4/20 0.33
NFATC1 O95644 3/20 0.33
GSK3B P49841 3/20 0.33
METAP2 P50579 1/20 0.32
KCNH2 Q12809 1/20 0.32
PLOD2 O00469 1/20 0.31
PLOD3 O60568 1/20 0.31
PLOD1 Q02809 1/20 0.31
KDM5A P29375 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
SCHEMBL3219724 0.89 ELANE (0.37) SCN9AELANEPTGER1CFDMETAP2
SCHEMBL3219630 0.83 KDM5A (0.42) SCN9AELANEDYRK1ANFATC1GSK3B
SCHEMBL3216495 0.81 SCN9A (0.38) SCN9AELANECFDDYRK1ANFATC1
SCHEMBL3210094 0.79 ELANE (0.39) SCN9AELANECFDDYRK1ANFATC1
SCHEMBL3226539 0.79 SCN9A (0.39) SCN9APTGER1ROCK2DYRK1ANFATC1
SCHEMBL3216732 0.74 SIRT3 (0.45) ELANEDYRK1ANFATC1GSK3BKCNH2
SCHEMBL3231704 0.73 ELANE (0.39) SCN9AELANECFDDYRK1ANFATC1
SCHEMBL3222295 0.73 PARP1 (0.44) ELANE
SCHEMBL3223469 0.73 PARP1 (0.38) SCN9AELANE
SCHEMBL3219392 0.70 ELANE (0.45) ELANECFD

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 SCN9A 3307/4885ELANE 2436/4885PTGER1 14/4885

“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.