SCHEMBL4261972

SCHEMBL4261972

CN(C)c1cc(NC2CCC(N(C(=O)C(F)(F)F)c3ccc(F)c(F)c3)CC2)ncn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.43
KDR P35968 1/20 0.39
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
MPL P40238 3/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
S1PR1 P21453 3/20 0.34
CCNK O75909 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK12 Q9NYV4 1/20 0.33

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
SCHEMBL4255561 0.84 MCHR1 (0.45) MCHR1KCNQ3KCNQ2ADRA2AADRA1A
SCHEMBL4256547 0.81 IRAK4 (0.41) MCHR1IRAK4ADRA2AADRA1AHRH1
Trifluoroacetic Acid SCHEMBL4261967 0.77 MCHR1 (0.62) MCHR1KCNQ3KCNQ2ADRA2AADRA1A
SCHEMBL4263661 0.76 MCHR1 (0.69) MCHR1KCNQ3KCNQ2ADRA2AADRA1A
SCHEMBL4263667 0.76 MCHR1 (0.69) MCHR1KCNQ3KCNQ2ADRA2AADRA1A
Hydrochloric Acid SCHEMBL4257335 0.75 MCHR1 (0.67) MCHR1KCNQ3KCNQ2ADRA2AADRA1A
Hydrochloric Acid SCHEMBL4257343 0.75 MCHR1 (0.67) MCHR1KCNQ3KCNQ2ADRA2AADRA1A
SCHEMBL6462481 0.75 KDM4E (0.50) MCHR1ADRA2AADRA1AHRH1
SCHEMBL6456487 0.75 MCHR1 (0.49) MCHR1ADRA2AADRA1AHRH1CCNK
SCHEMBL6456465 0.75 MCHR1 (0.47) MCHR1ADRA2AADRA1AHRH1CCNK

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 1 patent. 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 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 MCHR1 3/4885KDR 1066/4885KCNQ3 3071/4885

“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.