SCHEMBL6457019

SCHEMBL6457019

Cc1cnc(NC2CCC(CN)CC2)nc1N(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.58
ADRA2A P08913 6/20 0.57
HTR2B P41595 6/20 0.57
HRH1 P35367 5/20 0.57
ADRA1A P35348 4/20 0.55
HTR1A P08908 1/20 0.55
MAPK6 Q16659 1/20 0.43
AXL P30530 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
GAS6 Q14393 1/20 0.39
CSNK1A1 P48729 2/20 0.38
CDK7 P50613 2/20 0.38
CDK9 P50750 2/20 0.38
CCNK O75909 1/20 0.38
CDK13 Q14004 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
PRKCQ Q04759 1/20 0.37
PIK3C3 Q8NEB9 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
SCHEMBL6457025 1.00 MCHR1 (0.58) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6456780 0.85 MCHR1 (0.60) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6455816 0.85 MCHR1 (0.60) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6457080 0.84 MCHR1 (0.59) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6457088 0.84 MCHR1 (0.59) MCHR1ADRA2AHTR2BHRH1ADRA1A
Ammonia Solution, Strong SCHEMBL6462464 0.81 MCHR1 (0.58) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL27632612 0.79 MCHR1 (0.73) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6456686 0.78 MCHR1 (0.65) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6456691 0.78 MCHR1 (0.65) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6458406 0.77 MCHR1 (0.66) MCHR1ADRA2AHTR2BHRH1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101475528-A Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO LTD (JP) 2009-07-08 CN disclosed
CN-100451004-C Pyrimidine derivatives ARENA PHARM INC (JP) 2009-01-14 CN disclosed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN disclosed
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.