SCHEMBL4263469

SCHEMBL4263469

Cc1nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)cc(N(C)C)n1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.60
TAS1R1 Q7RTX1 2/20 0.60
TAS1R2 Q8TE23 2/20 0.60
MCHR1 Q99705 17/20 0.59
ADRA2A P08913 5/20 0.51
HRH1 P35367 5/20 0.51
ADRA1A P35348 4/20 0.51
HTR2B P41595 4/20 0.50
HTR1A P08908 1/20 0.46
NPY5R Q15761 1/20 0.46
CNR1 P21554 1/20 0.43
KCNH2 Q12809 1/20 0.43
AURKB Q96GD4 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
SCHEMBL4263472 1.00 TAS1R3 (0.60) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
Hydrochloric Acid SCHEMBL4266274 0.99 TAS1R3 (0.59) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
Hydrochloric Acid SCHEMBL4266278 0.99 TAS1R3 (0.59) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
SCHEMBL4257567 0.93 MCHR1 (0.59) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
SCHEMBL4257562 0.93 MCHR1 (0.59) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
Hydrochloric Acid SCHEMBL4256089 0.92 MCHR1 (0.58) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
Hydrochloric Acid SCHEMBL4256091 0.92 MCHR1 (0.58) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
SCHEMBL4258703 0.90 MCHR1 (0.57) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
SCHEMBL4258707 0.90 MCHR1 (0.57) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
SCHEMBL4260441 0.89 MCHR1 (0.74) 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
EP-1730122-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-12-13 EP claimed
WO-2005095357-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 WO 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 TAS1R3 1598/4885TAS1R1 963/4885TAS1R2 968/4885

“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.