SCHEMBL6456500

SCHEMBL6456500

CCNc1nc(NC2CCC(N(C(=O)C(F)(F)F)c3ccc(F)c(F)c3)CC2)ncc1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.47
ADRA2A P08913 4/20 0.44
HTR2B P41595 4/20 0.44
ADRA1A P35348 3/20 0.44
HRH1 P35367 3/20 0.44
HTR1A P08908 1/20 0.39
ULK1 O75385 1/20 0.37
PTK2 Q05397 1/20 0.36
FLT3 P36888 2/20 0.36
AXL P30530 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
GAS6 Q14393 1/20 0.36
STK17A Q9UEE5 1/20 0.36
CCNK O75909 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
KIT P10721 1/20 0.36

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
SCHEMBL6456487 0.92 MCHR1 (0.49) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6455574 0.91 MCHR1 (0.51) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6464501 0.88 MCHR1 (0.45) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6456465 0.84 MCHR1 (0.47) MCHR1ADRA2AHTR2BADRA1AHRH1
Trifluoroacetic Acid SCHEMBL6456496 0.79 MCHR1 (0.65) MCHR1ADRA2AHTR2BADRA1AHRH1
Trifluoroacetic Acid SCHEMBL6831115 0.79 MCHR1 (0.65) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6459587 0.76 MCHR1 (0.52) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6455417 0.76 MCHR1 (0.56) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6461142 0.76 MCHR1 (0.48) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6833474 0.75 MCHR1 (0.42) MCHR1ADRA2AHTR2BADRA1AHRH1

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 2 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 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 2/4885ADRA2A 117/4885HTR2B 22/4885

“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.