SCHEMBL2832397

SCHEMBL2832397

O=C(Nc1ccc(N2CCCC2)cc1C(F)(F)F)c1c[nH]c2cnccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.48
CFTR P13569 1/20 0.46
FLT3 P36888 10/20 0.43
ITK Q08881 3/20 0.42
AURKA O14965 1/20 0.41
KIT P10721 1/20 0.41
SRC P12931 1/20 0.41
TTK P33981 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
WDR5 P61964 1/20 0.40
HDAC1 Q13547 1/20 0.39
AR P10275 1/20 0.39
IGF1R P08069 1/20 0.39
CDK2 P24941 1/20 0.39
DYRK1B Q9Y463 1/20 0.39

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
SCHEMBL2840857 0.93 TRPV1 (0.46) TRPV1CFTRFLT3ITKAURKA
SCHEMBL2833152 0.91 CFTR (0.44) TRPV1CFTRFLT3WDR5
SCHEMBL2976917 0.87 CFTR (0.60) CFTR
SCHEMBL2978371 0.86 CFTR (0.59) TRPV1CFTR
SCHEMBL2840838 0.86 AR (0.45) CFTRFLT3WDR5AR
SCHEMBL2840834 0.86 AR (0.45) CFTRFLT3WDR5AR
SCHEMBL2971555 0.85 CFTR (0.60) CFTR
SCHEMBL2979084 0.84 ALDH1A1 (0.53) TRPV1CFTRWDR5AR
SCHEMBL2971596 0.79 CFTR (0.58) CFTRFLT3
SCHEMBL2978607 0.78 CFTR (0.56) CFTR

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2201010-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2013-11-06 EP claimed
US-8748612-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-10 US disclosed
US-8748612-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-10 US disclosed
US-8748612-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-10 US disclosed
EP-2201010-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2013-11-06 EP disclosed
US-20130178496-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2013-07-11 US disclosed
US-20130178496-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2013-07-11 US disclosed
US-8410132-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 US disclosed
US-8410132-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 US disclosed
US-8410132-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 US disclosed
US-20130018070-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-17 US disclosed
US-20130018070-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-17 US disclosed
US-8188283-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-8188283-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20100261750-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-14 US disclosed
US-20100261750-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-14 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 (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-20130178496-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC1 TRPV1 321/4885CFTR 1/4885FLT3 3977/4885
US-20130018070-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC1 TRPV1 321/4885CFTR 1/4885FLT3 3977/4885
US-20100261750-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, ABCB1, ABCC1 TRPV1 321/4885CFTR 1/4885FLT3 3977/4885

“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.