SCHEMBL3216499

SCHEMBL3216499

Nn1cc(CC(F)F)c2ccncc21

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.39
DYRK1A Q13627 9/20 0.35
KCNH2 Q12809 3/20 0.35
NFATC1 O95644 5/20 0.34
GSK3B P49841 5/20 0.34
LOXL2 Q9Y4K0 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
SCHEMBL3213070 0.88 MAOA (0.33) SCN9ADYRK1ANFATC1GSK3BLOXL2
SCHEMBL3219635 0.79 KDM5A (0.42) SCN9ADYRK1AKCNH2NFATC1GSK3B
SCHEMBL3216495 0.79 SCN9A (0.38) SCN9ADYRK1AKCNH2NFATC1GSK3B
SCHEMBL3226539 0.78 SCN9A (0.39) SCN9ADYRK1AKCNH2NFATC1GSK3B
SCHEMBL3231708 0.76 DYRK1A (0.36) DYRK1AKCNH2NFATC1GSK3B
Trifluoroacetic Acid SCHEMBL3232865 0.72 KDM5A (0.40) SCN9A
SCHEMBL3216733 0.71 DYRK1A (0.43) DYRK1AKCNH2NFATC1GSK3B
SCHEMBL3213065 0.70 ELANE (0.37) SCN9A
SCHEMBL3218061 0.69 DYRK1A (0.43) DYRK1AKCNH2NFATC1GSK3B
SCHEMBL3210099 0.69 KIF11 (0.37) SCN9ADYRK1ANFATC1GSK3B

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 3307/4885DYRK1A 3842/4885KCNH2 1719/4885

“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.