SCHEMBL4264176

SCHEMBL4264176

COc1cc(NC(=O)NC2CCC(Nc3cc(N(C)C)nc(C)n3)CC2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
KCNH2 Q12809 1/20 0.42
AURKB Q96GD4 1/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
MAPT P10636 4/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MCHR1 Q99705 3/20 0.40
GAA P10253 1/20 0.39
PTK2 Q05397 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL4264170 1.00 CNR1 (0.42) CNR1KCNH2AURKBUBE2MDCUN1D1
SCHEMBL4263695 0.89 SMN1; SMN2 (0.50) CNR1KCNH2AURKBMAPTPOLB
SCHEMBL4263684 0.89 SMN1; SMN2 (0.50) CNR1KCNH2AURKBMAPTPOLB
SCHEMBL4269090 0.88 ALDH1A1 (0.39) CNR1KCNH2AURKBMAPTKDM4E
SCHEMBL4269094 0.88 ALDH1A1 (0.39) CNR1KCNH2AURKBMAPTKDM4E
SCHEMBL4265059 0.84 MCHR1 (0.45) CNR1KCNH2AURKBALDH1A1MCHR1
SCHEMBL4265061 0.84 MCHR1 (0.45) CNR1KCNH2AURKBALDH1A1MCHR1
SCHEMBL4262302 0.83 NPC1 (0.58) CNR1KCNH2AURKBMAPTALDH1A1
SCHEMBL4262298 0.83 NPC1 (0.58) CNR1KCNH2AURKBMAPTALDH1A1
SCHEMBL4258752 0.83 KMT2A (0.46) CNR1KCNH2AURKBMAPTPOLB

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.