SCHEMBL4256563

SCHEMBL4256563

Cc1nc(NC2CCC(NC(=S)Nc3c(C)cc(Cl)cc3Cl)CC2)cc(N(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.39
MCHR1 Q99705 7/20 0.39
ADRA2A P08913 2/20 0.39
HRH1 P35367 2/20 0.39
HTR2B P41595 2/20 0.39
ADRA1A P35348 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NPC1 O15118 2/20 0.35
CYP1A2 P05177 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALOX12 P18054 2/20 0.34
GAA P10253 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL4256561 1.00 CRHR1 (0.39) CRHR1MCHR1ADRA2AHRH1HTR2B
SCHEMBL4263758 0.87 CRHR1 (0.41) CRHR1MCHR1ADRA2AHRH1HTR2B
SCHEMBL4263765 0.87 CRHR1 (0.41) CRHR1MCHR1ADRA2AHRH1HTR2B
SCHEMBL4266450 0.85 ALOX12 (0.39) CRHR1MCHR1ADRA2AHRH1HTR2B
SCHEMBL4266446 0.85 ALOX12 (0.39) CRHR1MCHR1ADRA2AHRH1HTR2B
Hydrochloric Acid SCHEMBL4257442 0.82 KMT2A (0.45) MCHR1ADRA2AHRH1HTR2BADRA1A
Hydrochloric Acid SCHEMBL4257446 0.82 KMT2A (0.45) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL4256741 0.81 SMN1; SMN2 (0.36) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL4256747 0.81 SMN1; SMN2 (0.36) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457834 0.81 MCHR1 (0.43) 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 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 CRHR1 108/4885MCHR1 3/4885ADRA2A 178/4885

“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.