SCHEMBL4263632

SCHEMBL4263632

Cc1nc(N[C@H]2CC[C@@H](NC(=O)c3cc(Br)cc(Br)c3)CC2)cc(N(C)C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.51
KCNH2 Q12809 1/20 0.51
AURKB Q96GD4 1/20 0.51
MCHR1 Q99705 17/20 0.50
ADRA2A P08913 6/20 0.50
HRH1 P35367 5/20 0.50
ADRA1A P35348 3/20 0.50
HTR2B P41595 4/20 0.49
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44

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
SCHEMBL4263636 1.00 CNR1 (0.51) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL4262318 0.90 MCHR1 (0.56) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL4262312 0.90 MCHR1 (0.56) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL4271943 0.89 SMYD3 (0.56) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL4258106 0.89 MCHR1 (0.58) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL4258098 0.89 MCHR1 (0.58) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL4271948 0.89 SMYD3 (0.56) CNR1KCNH2AURKBMCHR1ADRA2A
Hydrochloric Acid SCHEMBL4262655 0.89 SMYD3 (0.55) CNR1KCNH2AURKBMCHR1ADRA2A
Hydrochloric Acid SCHEMBL4262660 0.89 SMYD3 (0.55) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL4266211 0.87 MCHR1 (0.57) CNR1KCNH2AURKBMCHR1ADRA2A

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 CNR1 114/4885KCNH2 3317/4885AURKB 1199/4885

“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.