SCHEMBL4257612

SCHEMBL4257612

Cc1cc(NC2CCC(NC(=O)c3ccc(C#N)cc3)CC2)nc(N(C)C)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MCHR1 Q99705 15/20 0.51
ADRA2A P08913 7/20 0.51
HRH1 P35367 6/20 0.51
HTR2B P41595 5/20 0.51
ADRA1A P35348 3/20 0.51
CNR1 P21554 1/20 0.46
KCNH2 Q12809 1/20 0.46
AURKB Q96GD4 1/20 0.46
MAPK14 Q16539 2/20 0.42
MAPK11 Q15759 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42

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
SCHEMBL4257608 1.00 NPC1 (0.51) NPC1RAB9AMCHR1ADRA2AHRH1
Trifluoroacetic Acid SCHEMBL4263658 0.94 MCHR1 (0.48) NPC1RAB9AMCHR1ADRA2AHRH1
SCHEMBL4270962 0.88 MCHR1 (0.56) NPC1RAB9AMCHR1ADRA2AHRH1
SCHEMBL4270965 0.88 MCHR1 (0.56) NPC1RAB9AMCHR1ADRA2AHRH1
SCHEMBL4260785 0.86 MCHR1 (0.67) NPC1RAB9AMCHR1ADRA2AHRH1
SCHEMBL4260788 0.86 MCHR1 (0.67) NPC1RAB9AMCHR1ADRA2AHRH1
SCHEMBL4257888 0.84 MCHR1 (0.53) NPC1RAB9AMCHR1ADRA2AHRH1
SCHEMBL4257885 0.84 MCHR1 (0.53) NPC1RAB9AMCHR1ADRA2AHRH1
SCHEMBL4265526 0.82 MCHR1 (0.68) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL4262641 0.82 MCHR1 (0.68) 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 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 NPC1 600/4885RAB9A 3025/4885MCHR1 3/4885

“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.