SCHEMBL6459940

SCHEMBL6459940

Cc1nc(N[C@H]2CC[C@@H](CNCc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)CC2)nc(N)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.40
SLC2A1 P11166 1/20 0.37
ADRA2A P08913 2/20 0.36
NPY5R Q15761 1/20 0.36
VCP P55072 1/20 0.33
CRHR1 P34998 4/20 0.33
ACHE P22303 1/20 0.33
EP300 Q09472 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
FFAR1 O14842 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
GABBR2 O75899 3/20 0.32
GABBR1 Q9UBS5 3/20 0.32
KCNH2 Q12809 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL6464926 0.83 SLC2A1 (0.36) MCHR1SLC2A1ADRA2ANPY5RVCP
SCHEMBL6873890 0.78 MCHR1 (0.43) MCHR1SLC2A1ADRA2ANPY5RCRHR1
SCHEMBL6873895 0.78 MCHR1 (0.43) MCHR1SLC2A1ADRA2ANPY5RCRHR1
SCHEMBL13796887 0.78 MCHR1 (0.61) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL6466796 0.73 SCN9A (0.32) MCHR1ADRA2AACHE
SCHEMBL6879236 0.73 MCHR1 (0.46) MCHR1SLC2A1ADRA2ANPY5RVCP
SCHEMBL6879233 0.73 MCHR1 (0.46) MCHR1SLC2A1ADRA2ANPY5RVCP
SCHEMBL6465105 0.72 KDM4E (0.39) MCHR1ADRA2ANPY5RACHEADRA1A
SCHEMBL6459283 0.72 KDM4E (0.38) MCHR1ADRA2ANPY5RACHE
SCHEMBL6455412 0.71 MCHR1 (0.37) MCHR1ADRA2ANPY5RTYRO3MERTK

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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MCHR1 2/4885SLC2A1 2329/4885ADRA2A 117/4885

“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.