SCHEMBL4263765

SCHEMBL4263765

Cc1cc(C)c(NC(=S)NC2CCC(Nc3cc(N(C)C)nc(C)n3)CC2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.41
ALOX12 P18054 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.37
MCHR1 Q99705 8/20 0.37
ALDH1A1 P00352 3/20 0.36
CACNA1B Q00975 2/20 0.36
APBA1 Q02410 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
ADRA2A P08913 3/20 0.35
HRH1 P35367 3/20 0.35
ADRA1A P35348 2/20 0.35
HTR2B P41595 2/20 0.35
CNR1 P21554 1/20 0.35
KCNH2 Q12809 1/20 0.35
AURKB Q96GD4 1/20 0.35
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 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
SCHEMBL4263758 1.00 CRHR1 (0.41) CRHR1ALOX12SMN1; SMN2MCHR1ALDH1A1
SCHEMBL4266450 0.92 ALOX12 (0.39) CRHR1ALOX12SMN1; SMN2MCHR1ALDH1A1
SCHEMBL4266446 0.92 ALOX12 (0.39) CRHR1ALOX12SMN1; SMN2MCHR1ALDH1A1
SCHEMBL4256563 0.87 CRHR1 (0.39) CRHR1ALOX12SMN1; SMN2MCHR1ALDH1A1
SCHEMBL4256561 0.87 CRHR1 (0.39) CRHR1ALOX12SMN1; SMN2MCHR1ALDH1A1
SCHEMBL4256747 0.85 SMN1; SMN2 (0.36) ALOX12SMN1; SMN2MCHR1ALDH1A1CACNA1B
SCHEMBL4256741 0.85 SMN1; SMN2 (0.36) ALOX12SMN1; SMN2MCHR1ALDH1A1CACNA1B
SCHEMBL4258486 0.83 MCHR1 (0.40) ALOX12SMN1; SMN2MCHR1ALDH1A1CACNA1B
SCHEMBL4258493 0.83 MCHR1 (0.40) ALOX12SMN1; SMN2MCHR1ALDH1A1CACNA1B
SCHEMBL4269090 0.81 ALDH1A1 (0.39) SMN1; SMN2MCHR1ALDH1A1HTTCNR1

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
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
EP-1730122-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-12-13 EP disclosed
WO-2005095357-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 WO 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 108/4885ALOX12 1104/4885SMN1; SMN2 898/4885

“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.