SCHEMBL4256741

SCHEMBL4256741

Cc1nc(N[C@H]2CC[C@@H](NC(=S)Nc3c(Br)cc(Br)cc3Br)CC2)cc(N(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.34
CACNA1B Q00975 2/20 0.34
APBA1 Q02410 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MCHR1 Q99705 10/20 0.34
ADRA2A P08913 3/20 0.34
HRH1 P35367 3/20 0.34
ADRA1A P35348 2/20 0.34
HTR2B P41595 2/20 0.34
ALOX12 P18054 1/20 0.34
CNR1 P21554 1/20 0.34
KCNH2 Q12809 1/20 0.34
AURKB Q96GD4 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL4256747 1.00 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1CACNA1BAPBA1MAPK1
SCHEMBL4266446 0.92 ALOX12 (0.39) SMN1; SMN2ALDH1A1CACNA1BAPBA1MAPK1
SCHEMBL4266450 0.92 ALOX12 (0.39) SMN1; SMN2ALDH1A1CACNA1BAPBA1MAPK1
SCHEMBL4262718 0.88 MCHR1 (0.38) HTTKMT2AMCHR1ADRA2AHRH1
SCHEMBL4262726 0.88 MCHR1 (0.38) HTTKMT2AMCHR1ADRA2AHRH1
SCHEMBL4263765 0.85 CRHR1 (0.41) SMN1; SMN2ALDH1A1CACNA1BAPBA1MAPK1
SCHEMBL4263758 0.85 CRHR1 (0.41) SMN1; SMN2ALDH1A1CACNA1BAPBA1MAPK1
SCHEMBL4258493 0.81 MCHR1 (0.40) SMN1; SMN2ALDH1A1CACNA1BAPBA1MAPK1
SCHEMBL4258486 0.81 MCHR1 (0.40) SMN1; SMN2ALDH1A1CACNA1BAPBA1MAPK1
SCHEMBL4256563 0.81 CRHR1 (0.39) SMN1; SMN2ALDH1A1CACNA1BAPBA1MAPK1

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 SMN1; SMN2 898/4885ALDH1A1 765/4885CACNA1B 2456/4885

“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.