SCHEMBL4270930

SCHEMBL4270930

Cc1cc(NC2CCC(C(N)=O)CC2)nc(N(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.47
PDGFRA P16234 2/20 0.47
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
IRAK4 Q9NWZ3 3/20 0.40
KCNN2 Q9H2S1 1/20 0.38
KCNN3 Q9UGI6 1/20 0.38
MCHR1 Q99705 7/20 0.37
ADRA2A P08913 3/20 0.37
HRH1 P35367 3/20 0.37
ADRA1A P35348 2/20 0.37
HTR2B P41595 2/20 0.37
CNR1 P21554 1/20 0.36
KCNH2 Q12809 1/20 0.36
AURKB Q96GD4 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
SCHEMBL4270924 1.00 PDGFRB (0.47) PDGFRBPDGFRAALDH1A1TP53TSHR
SCHEMBL4262147 0.82 KCNN2 (0.42) TDP1MEN1LMNAKMT2AKCNN2
SCHEMBL4262141 0.82 KCNN2 (0.42) TDP1MEN1LMNAKMT2AKCNN2
SCHEMBL4257454 0.80 PDGFRB (0.47) PDGFRBPDGFRAIRAK4MCHR1ADRA2A
SCHEMBL4257453 0.80 PDGFRB (0.47) PDGFRBPDGFRAIRAK4MCHR1ADRA2A
SCHEMBL4264857 0.77 KDM1A (0.40) TDP1MEN1LMNAKMT2AMCHR1
SCHEMBL4264854 0.77 KDM1A (0.40) TDP1MEN1LMNAKMT2AMCHR1
SCHEMBL4270962 0.77 MCHR1 (0.56) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL4270965 0.77 MCHR1 (0.56) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL4258733 0.76 CNR1 (0.48) MCHR1ADRA2AHRH1ADRA1AHTR2B

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 4 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
EP-1730122-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-12-13 EP disclosed
WO-2005095357-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 WO 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 PDGFRB 707/4885PDGFRA 608/4885ALDH1A1 765/4885

“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.