SCHEMBL3210094

SCHEMBL3210094

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.39
CYP11B2 P19099 2/20 0.38
SCN9A Q15858 2/20 0.38
CAPN1 P07384 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
FAAH O00519 1/20 0.35
RORC P51449 2/20 0.35
RBP4 P02753 1/20 0.35
CFD P00746 2/20 0.35
NFATC1 O95644 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
SLC9A1 P19634 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL3219392 0.88 ELANE (0.45) ELANECYP11B2CAPN1S1PR1S1PR3
SCHEMBL3226537 0.79 SCN9A (0.40) ELANESCN9ACFDNFATC1GSK3B
SCHEMBL3216732 0.77 SIRT3 (0.45) ELANECYP11B2NFATC1GSK3BDYRK1A
SCHEMBL3231704 0.77 ELANE (0.39) ELANESCN9ACFDNFATC1GSK3B
SCHEMBL20674550 0.76 SCN9A (0.39) ELANESCN9AS1PR1S1PR3RORC
SCHEMBL3210099 0.76 KIF11 (0.37) ELANESCN9AS1PR1S1PR3RORC
SCHEMBL3219630 0.75 KDM5A (0.42) ELANECYP11B2SCN9ANFATC1GSK3B
SCHEMBL3218054 0.73 DYRK1A (0.41) ELANENFATC1GSK3BDYRK1ACCNC
SCHEMBL3216495 0.73 SCN9A (0.38) ELANESCN9ACFDNFATC1GSK3B
SCHEMBL3220693 0.71 PARP1 (0.41) ELANES1PR1S1PR3RORCTRPV1

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 ELANE 2436/4885CYP11B2 651/4885SCN9A 3307/4885

“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.