SCHEMBL4201004

SCHEMBL4201004

CN(C)c1nc(NC2CCC(NC(=S)Nc3ccc(Br)cc3Cl)CC2)nc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.60
ADRA2A P08913 18/20 0.60
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPY5R Q15761 5/20 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
SCHEMBL4200996 1.00 MCHR1 (0.60) MCHR1ADRA2AMEN1ALDH1A1MAPT
SCHEMBL4033552 0.91 MCHR1 (0.62) MCHR1ADRA2AMEN1ALDH1A1MAPT
SCHEMBL5529140 0.91 MCHR1 (0.62) MCHR1ADRA2AMEN1ALDH1A1MAPT
SCHEMBL4029584 0.90 MCHR1 (0.61) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4032195 0.90 MCHR1 (0.61) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4037254 0.87 MCHR1 (0.59) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4037257 0.87 MCHR1 (0.59) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4517887 0.86 MCHR1 (0.64) MCHR1ADRA2AMAPTKMT2ANPY5R
SCHEMBL4517881 0.86 MCHR1 (0.64) MCHR1ADRA2AMAPTKMT2ANPY5R
SCHEMBL4034626 0.85 MCHR1 (0.61) MCHR1ADRA2ASMN1; SMN2NPY5RHTR1A

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 MCHR1 1/4885ADRA2A 103/4885MEN1 647/4885

“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.