SCHEMBL4947616

SCHEMBL4947616

CCn1c(-c2cccs2)nnc1C(S)N1C=C(c2cc(C#N)ccc2F)ON1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
TSHR P16473 3/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 2/20 0.32
ALDH1A1 P00352 3/20 0.30
KDM4E B2RXH2 2/20 0.30
HPGD P15428 1/20 0.30
RCE1 Q9Y256 1/20 0.30
GRM5 P41594 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
SCHEMBL4946016 0.87 KMT2A (0.34) TSHRLMNAGRM5
SCHEMBL4941807 0.85 ALDH1A1 (0.36) MAPTTSHRTP53HTTALDH1A1
SCHEMBL4945524 0.84 MAPT (0.33) MAPTTSHRLMNANPSR1TP53
SCHEMBL4947013 0.79 KMT2A (0.37) MAPTTSHRLMNANPSR1TP53
SCHEMBL4947623 0.79 TSHR (0.46) MAPTTSHRLMNANPSR1TP53
SCHEMBL1543951 0.78 NPSR1 (0.35) MAPTTSHRLMNANPSR1TP53
SCHEMBL4946807 0.76 MAPT (0.32) MAPTTSHRLMNATP53POLB
SCHEMBL4946036 0.74 LMNA (0.35) MAPTTSHRLMNANPSR1TP53
SCHEMBL4945234 0.73 CDK2 (0.33) GRM5
SCHEMBL4215213 0.72 LMNA (0.45) MAPTTSHRLMNANPSR1TP53

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-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 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-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 MAPT 780/4885TSHR 895/4885LMNA 4509/4885

“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.