SCHEMBL4945524

SCHEMBL4945524

CCn1c(-c2cccs2)nnc1C(S)N1C=C(c2cc(C)ccc2C#N)ON1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.33
ALDH1A1 P00352 9/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 3/20 0.33
LMNA P02545 5/20 0.32
HTT P42858 4/20 0.32
TSHR P16473 4/20 0.32
KDM4E B2RXH2 4/20 0.32
HPGD P15428 3/20 0.31
RCE1 Q9Y256 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ATM Q13315 1/20 0.31
RAB9A P51151 2/20 0.30
HSD17B10 Q99714 2/20 0.30
NPC1 O15118 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
SCHEMBL4947013 0.87 KMT2A (0.37) MAPTALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL4947616 0.84 MAPT (0.35) MAPTALDH1A1POLBLMNAHTT
SCHEMBL4945529 0.78 LMNA (0.44) MAPTALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL4939460 0.78 LMNA (0.34) MAPTALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL1544039 0.77 RXFP1 (0.37) MAPTALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL4946036 0.77 LMNA (0.35) MAPTALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL1544542 0.67 RXFP1 (0.39) MAPTALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL1544040 0.67 SMN1; SMN2 (0.50) MAPTALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL4215213 0.67 LMNA (0.45) MAPTALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL4947019 0.66 TSHR (0.47) MAPTALDH1A1SMN1; SMN2MAPK1POLB

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 780/4885ALDH1A1 3875/4885SMN1; SMN2 1409/4885

“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.