SCHEMBL4256768

SCHEMBL4256768

CCOc1cc(OCC)cc(C(=O)NC2CCC(Nc3cc(C)nc(N(C)C)n3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.54
KCNH2 Q12809 1/20 0.54
AURKB Q96GD4 1/20 0.54
MCHR1 Q99705 14/20 0.46
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADRA2A P08913 6/20 0.44
HRH1 P35367 5/20 0.44
ADRA1A P35348 3/20 0.44
HTR2B P41595 4/20 0.43
MAPT P10636 1/20 0.40
CNR2 P34972 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL4256756 1.00 CNR1 (0.54) CNR1KCNH2AURKBMCHR1HPGD
SCHEMBL4266604 0.91 RAB9A (0.59) CNR1KCNH2AURKBMCHR1HPGD
SCHEMBL4266600 0.91 RAB9A (0.59) CNR1KCNH2AURKBMCHR1HPGD
SCHEMBL4265569 0.85 MCHR1 (0.46) CNR1KCNH2AURKBMCHR1HPGD
SCHEMBL4265549 0.85 MCHR1 (0.46) CNR1KCNH2AURKBMCHR1HPGD
SCHEMBL4258736 0.84 CNR1 (0.48) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL4258733 0.84 CNR1 (0.48) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL4266403 0.84 CNR1 (0.56) CNR1KCNH2AURKBMCHR1HPGD
SCHEMBL4266415 0.84 CNR1 (0.56) CNR1KCNH2AURKBMCHR1HPGD
SCHEMBL6463044 0.82 CNR1 (0.80) CNR1KCNH2AURKBMCHR1HPGD

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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US claimed
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US 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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 CNR1 114/4885KCNH2 3317/4885AURKB 1199/4885

“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.