SCHEMBL4940455

SCHEMBL4940455

Cn1c(SCN2C=C(c3cccc(C#N)c3)ON2)nnc1-c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.53
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
HDAC3 O15379 2/20 0.43
PTK2 Q05397 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC1 Q13547 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 3/20 0.42
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL4941138 0.91 ALOX12 (0.52) ALOX12DRD2DRD3POLBALDH1A1
SCHEMBL4946824 0.89 ALOX12 (0.51) ALOX12DRD2DRD3POLBALDH1A1
SCHEMBL4947630 0.87 ALOX12 (0.48) ALOX12POLBALDH1A1MAPTMEN1
SCHEMBL4944871 0.86 GAA (0.44) ALOX12DRD2DRD3ALDH1A1MAPT
SCHEMBL4945626 0.83 ALOX12 (0.45) ALOX12DRD2DRD3POLBALDH1A1
SCHEMBL4942060 0.81 ALOX12 (0.43) ALOX12DRD2DRD3POLBALDH1A1
SCHEMBL5483573 0.81 LMNA (0.51) DRD2DRD3POLBALDH1A1MEN1
SCHEMBL4945592 0.79 TSHR (0.45) POLBALDH1A1MAPTKMT2ALMNA
SCHEMBL4938300 0.77 MAPT (0.46) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL5485303 0.76 DRD2 (0.41) DRD2DRD3ALDH1A1MAPTMEN1

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-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-02 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 (4 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-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 ALOX12 2231/4885DRD2 283/4885DRD3 448/4885
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 ALOX12 2239/4885DRD2 281/4885DRD3 454/4885
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 ALOX12 2231/4885DRD2 283/4885DRD3 448/4885
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 ALOX12 2231/4885DRD2 283/4885DRD3 448/4885

“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.