SCHEMBL4034884

SCHEMBL4034884

Cc1onc(-c2ccccc2)c1NC(=S)N[C@H]1CC[C@@H](Nc2nc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.51
ADRA2A P08913 15/20 0.51
NPY5R Q15761 2/20 0.49
HTR1A P08908 1/20 0.49
ADRA1A P35348 1/20 0.49
HRH1 P35367 1/20 0.49
HTR2B P41595 1/20 0.49
MAPK8 P45983 1/20 0.43
MAPK14 Q16539 1/20 0.43
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40

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
SCHEMBL4034886 1.00 MCHR1 (0.51) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4035067 0.90 MCHR1 (0.56) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4035066 0.90 MCHR1 (0.56) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4030280 0.89 MCHR1 (0.47) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4030277 0.89 MCHR1 (0.47) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL6876775 0.86 MAPK8 (0.42) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL6876763 0.86 MAPK8 (0.42) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL6877333 0.84 MCHR1 (0.40) MCHR1ADRA2AMAPK8MAPK14ALDH1A1
SCHEMBL6877319 0.84 MCHR1 (0.40) MCHR1ADRA2AMAPK8MAPK14ALDH1A1
SCHEMBL4031654 0.84 MCHR1 (0.60) MCHR1ADRA2ANPY5RHTR1AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US claimed
EP-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP disclosed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 MCHR1 1/4885ADRA2A 103/4885NPY5R 17/4885

“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.