SCHEMBL3219728

SCHEMBL3219728

Nn1cc(CC(F)(F)F)c2cnccc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.33
ELANE P08246 1/20 0.33
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 2/20 0.32
PTGER1 P34995 1/20 0.31
CYP17A1 P05093 1/20 0.30
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
SCHEMBL3226539 0.88 SCN9A (0.39) LOXL2SCN9APTGER1NFATC1GSK3B
SCHEMBL3219724 0.79 ELANE (0.37) HTR6ELANESCN9APTGER1
SCHEMBL3213070 0.78 MAOA (0.33) HTR6MAOAMAOBACHELOXL2
SCHEMBL3219395 0.76 ELANE (0.40) HTR6ELANEMAOAMAOBACHE
SCHEMBL3213736 0.71 HTR6 (0.51) HTR6ELANEMAOAMAOBACHE
SCHEMBL3226537 0.70 SCN9A (0.40) ELANESCN9APTGER1NFATC1GSK3B
SCHEMBL3226981 0.69 HTR6 (0.32) HTR6MAOAMAOBACHENFATC1
SCHEMBL3223476 0.69 KDM4E (0.32) HTR6
SCHEMBL3222300 0.69 ATM (0.36) HTR6ELANEDYRK1A
SCHEMBL31358361 0.67 CYP17A1 (0.38) LOXL2CYP17A1

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 HTR6 609/4885ELANE 2436/4885MAOA 1333/4885

“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.