SCHEMBL4031082

SCHEMBL4031082

CN(C)c1nc(NC2CCC(C(=O)NCc3cccc(C(F)(F)F)c3F)CC2)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.57
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2D6 P10635 1/20 0.56
MCHR1 Q99705 14/20 0.55
ADRA2A P08913 13/20 0.55
NPY5R Q15761 3/20 0.51
HTR1A P08908 1/20 0.51
ADRA1A P35348 1/20 0.51
HRH1 P35367 1/20 0.51
HTR2B P41595 1/20 0.51

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
SCHEMBL4031078 1.00 EPHX2 (0.57) EPHX2CYP3A4CYP2C9CYP2D6MCHR1
SCHEMBL5527766 0.93 EPHX2 (0.66) EPHX2CYP3A4CYP2C9CYP2D6MCHR1
SCHEMBL5527771 0.93 EPHX2 (0.66) EPHX2CYP3A4CYP2C9CYP2D6MCHR1
SCHEMBL4027345 0.90 MCHR1 (0.61) EPHX2CYP3A4CYP2C9CYP2D6MCHR1
SCHEMBL4027350 0.90 MCHR1 (0.61) EPHX2CYP3A4CYP2C9CYP2D6MCHR1
SCHEMBL4029653 0.88 MCHR1 (0.56) EPHX2CYP3A4CYP2C9CYP2D6MCHR1
SCHEMBL4029656 0.88 MCHR1 (0.56) EPHX2CYP3A4CYP2C9CYP2D6MCHR1
SCHEMBL13797424 0.87 MCHR1 (0.61) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5523146 0.87 MCHR1 (0.64) EPHX2CYP3A4CYP2C9CYP2D6MCHR1
SCHEMBL5523138 0.87 MCHR1 (0.64) EPHX2CYP3A4CYP2C9CYP2D6MCHR1

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-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP claimed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US claimed
JP-2006522109-A 2006-09-28 JP claimed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP claimed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 WO claimed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 EPHX2 3017/4885CYP3A4 334/4885CYP2C9 1280/4885

“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.