SCHEMBL6459459

SCHEMBL6459459

COc1nc(N[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)ncc1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.46
BTK Q06187 4/20 0.45
MCHR1 Q99705 6/20 0.44
ADRA2A P08913 4/20 0.44
HRH1 P35367 4/20 0.44
HTR2B P41595 4/20 0.44
ADRA1A P35348 2/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
MAPK8 P45983 4/20 0.42
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
PRKDC P78527 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
JAK1 P23458 2/20 0.40
MAPK9 P45984 1/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL6459470 1.00 MERTK (0.46) MERTKBTKMCHR1ADRA2AHRH1
SCHEMBL6464155 0.84 MCHR1 (0.64) MERTKBTKMCHR1ADRA2AHRH1
SCHEMBL6464159 0.84 MCHR1 (0.64) MERTKBTKMCHR1ADRA2AHRH1
SCHEMBL22003097 0.81 MERTK (0.45) MERTKBTKMCHR1ADRA2AHRH1
SCHEMBL25495361 0.79 BTK (0.41) MERTKBTKMCHR1ADRA2AHRH1
SCHEMBL25500422 0.79 BTK (0.41) MERTKBTKMCHR1ADRA2AHRH1
SCHEMBL22570115 0.79 MERTK (0.45) MERTKBTKMCHR1ADRA2AHRH1
SCHEMBL25042174 0.79 MERTK (0.45) MERTKBTKCKS1BSKP1SKP2
SCHEMBL28483806 0.79 MERTK (0.45) MERTKBTKCKS1BSKP1SKP2
SCHEMBL24559047 0.78 BTK (0.42) MERTKBTKMCHR1ADRA2AHRH1

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 MERTK 278/4885BTK 1667/4885MCHR1 2/4885

“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.