SCHEMBL6460431

SCHEMBL6460431

CN(C)c1nc(NC2CCC(NC(=O)OC(C)(C)C)CC2)ncc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.48
ADRA2A P08913 8/20 0.48
HTR2B P41595 6/20 0.48
HRH1 P35367 6/20 0.48
ADRA1A P35348 5/20 0.48
CCNK O75909 1/20 0.47
CDK12 Q9NYV4 1/20 0.47
HTR1A P08908 1/20 0.45
ULK1 O75385 1/20 0.43
MERTK Q12866 1/20 0.41
JAK3 P52333 2/20 0.40
AURKA O14965 1/20 0.40
EGFR P00533 1/20 0.40
NTRK1 P04629 1/20 0.40
CDK1 P06493 1/20 0.40
IGF1R P08069 1/20 0.40
KIT P10721 1/20 0.40
EPHA1 P21709 1/20 0.40
CDK2 P24941 1/20 0.40
FLT3 P36888 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
SCHEMBL6460434 1.00 MCHR1 (0.48) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6464155 0.86 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6464159 0.86 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL27632454 0.86 MCHR1 (0.55) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL23292429 0.80 CCNK (0.61) CCNKCDK12ALKPTK2
SCHEMBL22895744 0.80 CCNK (0.61) CCNKCDK12ALKPTK2
SCHEMBL28549678 0.80 CCNK (0.61) CCNKCDK12ALKPTK2
SCHEMBL30456486 0.79 BTK (0.43) ULK1MERTKJAK3CKS1BSKP1
SCHEMBL25360845 0.79 BTK (0.43) ULK1MERTKJAK3CKS1BSKP1
SCHEMBL25495392 0.79 ADRA2A (0.41) MCHR1ADRA2AULK1MERTKJAK3

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 3 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
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 2/4885ADRA2A 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.