SCHEMBL4034310

SCHEMBL4034310

COc1ccccc1NC(=S)N[C@H]1CC[C@@H](Nc2nc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.59
ADRA2A P08913 15/20 0.59
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
THRB P10828 1/20 0.54
ALOX12 P18054 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPY5R Q15761 2/20 0.52
HTR1A P08908 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
HTR2B P41595 1/20 0.52

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
SCHEMBL4034315 1.00 MCHR1 (0.59) MCHR1ADRA2ALMNANPSR1THRB
SCHEMBL4207389 0.91 MCHR1 (0.63) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4207379 0.91 MCHR1 (0.63) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4036476 0.90 MCHR1 (0.62) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4036475 0.90 MCHR1 (0.62) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4034508 0.90 MCHR1 (0.58) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4034506 0.90 MCHR1 (0.58) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4035975 0.90 LMNA (0.57) MCHR1ADRA2ALMNATHRBALOX12
SCHEMBL4204264 0.90 LMNA (0.57) MCHR1ADRA2ALMNATHRBALOX12
SCHEMBL5520915 0.89 MCHR1 (0.56) MCHR1ADRA2ALMNATHRBALOX12

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 103/4885LMNA 2932/4885

“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.