SCHEMBL4263722

SCHEMBL4263722

CCc1cccc(C(=O)NC2CCC(Nc3cc(C)nc(N(C)C)n3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.57
MCHR1 Q99705 14/20 0.53
ADRA2A P08913 7/20 0.47
HRH1 P35367 3/20 0.47
HTR2B P41595 3/20 0.47
ADRA1A P35348 2/20 0.47
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4263717 1.00 SMYD3 (0.57) SMYD3MCHR1ADRA2AHRH1HTR2B
SCHEMBL4266600 0.86 RAB9A (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL4266604 0.86 RAB9A (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL4260501 0.84 SMYD3 (0.57) SMYD3MCHR1ADRA2AHRH1HTR2B
SCHEMBL4260496 0.84 SMYD3 (0.57) SMYD3MCHR1ADRA2AHRH1HTR2B
SCHEMBL4263766 0.83 MCHR1 (0.60) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL4263772 0.83 MCHR1 (0.60) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462903 0.82 MCHR1 (0.78) SMYD3MCHR1ADRA2AHRH1HTR2B
SCHEMBL6462910 0.82 MCHR1 (0.78) SMYD3MCHR1ADRA2AHRH1HTR2B
SCHEMBL4270965 0.82 MCHR1 (0.56) MCHR1ADRA2AHRH1HTR2BADRA1A

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 SMYD3 861/4885MCHR1 3/4885ADRA2A 178/4885

“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.