SCHEMBL5485045

SCHEMBL5485045

CC(Sc1nnc(-c2ccncc2)n1C)c1nnn(-c2cccc(C#N)c2)n1.Cc1ccc(F)c(-n2nnc(CSc3nnc(-c4ccncc4)n3C3CC3)n2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA5 P30532 1/20 0.30
CHRNA4 P43681 1/20 0.30
LMNA P02545 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
PTK2 Q05397 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
SCHEMBL5739564 0.85 CYP3A4 (0.42) CYP3A4SMN1; SMN2ALPLALPIMAPT
SCHEMBL5753191 0.83 CYP3A4 (0.43) CYP3A4ALPLALPIMAPTMEN1
SCHEMBL2895698 0.82 CHRNB2 (0.41) DRD2DRD3CYP3A4ALPLALPI
SCHEMBL2895530 0.82 CYP3A4 (0.46) DRD2DRD3CYP3A4ALPLALPI
SCHEMBL2891581 0.80 CYP3A4 (0.47) CYP3A4SMN1; SMN2ALPLALPIMAPT
SCHEMBL2893164 0.80 GAA (0.36) CYP3A4SMN1; SMN2ALPLALPIMEN1
SCHEMBL2898303 0.80 CHRNB2 (0.45) DRD2DRD3SMN1; SMN2MAPTMEN1
SCHEMBL5740751 0.78 GRM5 (0.34) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL2893049 0.78 SMN1; SMN2 (0.41) CYP3A4SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2893692 0.77 ALPL (0.41) CYP3A4ALPLALPIMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-23 US claimed

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-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 DRD2 419/4885DRD3 374/4885CYP3A4 960/4885

“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.