SCHEMBL3213096

SCHEMBL3213096

CCN(CC)C(F)(F)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.46
CYP19A1 P11511 4/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KIF11 P52732 1/20 0.38

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
SCHEMBL3226659 0.80 CYP19A1 (0.47) KCNA5CYP19A1CHRNB2CHRNA4KDM4E
SCHEMBL812047 0.77 ALDH1A1 (0.44) NR1H2NR1H3KDM4E
SCHEMBL26479501 0.76 CYP19A1 (0.49) KCNA5CYP19A1LMNACYP1A2CYP3A4
SCHEMBL13684207 0.73 CYP19A1 (0.46) KCNA5CYP19A1KDM4ELMNACYP1A2
SCHEMBL13557773 0.72 CYP19A1 (0.55) KCNA5CYP19A1LMNACYP1A2CYP3A4
SCHEMBL28036808 0.72 CYP19A1 (0.55) KCNA5CYP19A1LMNACYP1A2CYP3A4
SCHEMBL29387897 0.72 CYP19A1 (0.57) KCNA5CYP19A1CYP1A2CYP3A4KIF11
SCHEMBL7068828 0.72 CYP19A1 (0.57) KCNA5CYP19A1CYP1A2CYP3A4KIF11
SCHEMBL13577 0.72 CYP19A1 (0.57) KCNA5CYP19A1CYP1A2CYP3A4KIF11
SCHEMBL3431565 0.71 CYP19A1 (0.45) KCNA5CYP19A1LMNACYP1A2CYP3A4

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-1439170-B1 Fluorinating reactants and process for their preparation SALTIGO GMBH (DE) 2009-06-03 EP claimed
US-7045662-B2 α, α-difluoroamines and difluoromethylene-α, α-diazo compounds BAYER CHEMICALS AG (DE) 2006-05-16 US claimed
US-20050085474-A1 Fluorinating reagents and their preparation LANXESS DEUTSCHLAND GMBH (DE) 2005-04-21 US claimed
US-20040198975-A1 Alpha, alpha-difluoroamines and difluoromethylene-alpha, alpha-diazo compounds LANXESS DEUTSCHLAND GMBH (DE) 2004-10-07 US claimed
US-20100036119-A1 FLUORINATING REAGENTS AND THEIR PREPARATION LANXESS DEUTSCHLAND GMBH (DE) 2010-02-11 US disclosed
US-20100036119-A1 FLUORINATING REAGENTS AND THEIR PREPARATION LANXESS DEUTSCHLAND GMBH (DE) 2010-02-11 US disclosed
US-7045662-B2 α, α-difluoroamines and difluoromethylene-α, α-diazo compounds BAYER CHEMICALS AG (DE) 2006-05-16 US disclosed
US-20050085474-A1 Fluorinating reagents and their preparation LANXESS DEUTSCHLAND GMBH (DE) 2005-04-21 US disclosed
US-20040198975-A1 Alpha, alpha-difluoroamines and difluoromethylene-alpha, alpha-diazo compounds LANXESS DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
EP-1437342-A2 Fluorinating reactants and process for their preparation Bayer Chemicals AG (DE) 2004-07-14 EP 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 (3 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-20040198975-A1 Alpha, alpha-difluoroamines and difluoromethylene-alpha, alpha-diazo compounds DDT, DDO, SAT1 KCNA5 2088/4885CYP19A1 362/4885CHRNB2 822/4885
US-20050085474-A1 Fluorinating reagents and their preparation FLNA, ARFGEF1, FLNB KCNA5 2236/4885CYP19A1 1245/4885CHRNB2 1628/4885
US-20100036119-A1 FLUORINATING REAGENTS AND THEIR PREPARATION FLNA, ARFGEF1, FLNB KCNA5 2236/4885CYP19A1 1245/4885CHRNB2 1628/4885

“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.