SCHEMBL3213070

SCHEMBL3213070

Nn1cc(CC(F)F)c2cnccc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
ACHE P22303 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
SCN9A Q15858 1/20 0.32
HTR6 P50406 2/20 0.32
NFATC1 O95644 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL3216499 0.88 SCN9A (0.39) LOXL2SCN9ANFATC1GSK3BDYRK1A
SCHEMBL3213065 0.79 ELANE (0.37) ACHESCN9AHTR6
SCHEMBL3219728 0.78 HTR6 (0.33) MAOAMAOBACHELOXL2SCN9A
SCHEMBL3226981 0.76 HTR6 (0.32) MAOAMAOBACHEHTR6NFATC1
SCHEMBL3213736 0.71 HTR6 (0.51) MAOAMAOBACHEHTR6NFATC1
SCHEMBL3216495 0.70 SCN9A (0.38) SCN9ANFATC1GSK3BDYRK1A
SCHEMBL3219395 0.69 ELANE (0.40) MAOAMAOBACHEHTR6
SCHEMBL3216600 0.69 DYRK1A (0.36) MAOAMAOBACHEHTR6NFATC1
SCHEMBL3228773 0.69 SCN9A (0.34) SCN9AHTR6
SCHEMBL3226183 0.69 HTR3A (0.32) HTR6

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 6 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-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

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 MAOA 1333/4885MAOB 830/4885ACHE 2193/4885

“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.