SCHEMBL5445358

SCHEMBL5445358

Clc1nc2nc(C3CC3)nn2c(Cl)c1-c1ccsc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
HTR6 P50406 1/20 0.31
PDE4D Q08499 1/20 0.30

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
SCHEMBL10279750 0.83 PDE4D (0.42) PDE4D
SCHEMBL3713355 0.81 HTR2A (0.33) PDE4D
SCHEMBL5439370 0.74 PDE10A (0.31)
SCHEMBL5447564 0.73 MEN1 (0.30)
SCHEMBL8640233 0.71 GAA (0.48)
SCHEMBL2972065 0.71 PDE10A (0.40)
SCHEMBL5447381 0.69 IDH1 (0.35) GABRA1GABRG2GABRB3GABRA3
SCHEMBL14430549 0.69 TRPV1 (0.36)
SCHEMBL8640237 0.62 ALDH1A1 (0.43)
SCHEMBL4695611 0.61 CSNK2A1 (0.41)

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179295-A1 Triazolopyrimidines BAYER CROPSCIENCE AG (DE) 2007-08-02 US disclosed
US-20070179295-A1 Triazolopyrimidines BAYER CROPSCIENCE AG (DE) 2007-08-02 US disclosed
US-20070179295-A1 Triazolopyrimidines BAYER CROPSCIENCE AG (DE) 2007-08-02 US disclosed
US-20070179162-A1 Triazolopyrimdines BAYER CROPSCIENCE AG (DE) 2007-08-02 US disclosed
US-20070179162-A1 Triazolopyrimdines BAYER CROPSCIENCE AG (DE) 2007-08-02 US disclosed
US-20070179162-A1 Triazolopyrimdines BAYER CROPSCIENCE AG (DE) 2007-08-02 US disclosed
US-20060281767-A1 Triazoloypyrimidines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-12-14 US disclosed
EP-1644374-A1 TRIAZOLOPYRIMIDINES Bayer CropScience AG (DE) 2006-04-12 EP disclosed
EP-1638400-A2 TRIAZOLOPYRIMIDINES Bayer CropScience AG (DE) 2006-03-29 EP disclosed
WO-2004112480-A2 TRIAZOLOPYRIMIDINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-12-29 WO disclosed
WO-2004113342-A1 TRIAZOLOPYRIMIDINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-12-29 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 (3 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-20070179295-A1 Triazolopyrimidines QDPR, DPYD, CYP1B1 CHRM2 287/4885CHRM4 484/4885CHRM5 349/4885
US-20060281767-A1 Triazoloypyrimidines DPYD, TYMP, P2RX5 CHRM2 775/4885CHRM4 1649/4885CHRM5 947/4885
US-20070179162-A1 Triazolopyrimdines QDPR, CYP2D6, CYP1B1 CHRM2 5/4885CHRM4 53/4885CHRM5 27/4885

“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.