SCHEMBL4945240

SCHEMBL4945240

N#Cc1ccc(F)c(C2=CN(CSc3nnc(-c4ccncc4)n3C3CC3)NO2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
CYP3A4 P08684 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
TSHR P16473 3/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL4944871 0.86 GAA (0.44) GAACYP3A4RXFP1CTDSP1TDP1
SCHEMBL4946020 0.85 KMT2A (0.48) CYP3A4TDP1TSHRKMT2AMEN1
SCHEMBL4946156 0.79 GAA (0.46) GAACYP3A4RXFP1CTDSP1TDP1
SCHEMBL1544662 0.78 CYP3A4 (0.62) GAACYP3A4RXFP1CTDSP1TDP1
SCHEMBL4945234 0.78 CDK2 (0.33) CYP3A4CDK2GSK3BCYP11B2
SCHEMBL4947623 0.74 TSHR (0.46) GAACYP3A4TDP1TSHRKMT2A
SCHEMBL4940455 0.72 ALOX12 (0.53) GAAL3MBTL1TSHRKMT2AMEN1
SCHEMBL4946013 0.68 GAA (0.35) GAACYP3A4RXFP1CTDSP1TDP1
SCHEMBL1544661 0.67 CYP11B2 (0.36) CYP3A4KMT2ACDK2GSK3BCYP11B2
SCHEMBL1544396 0.67 MEN1 (0.61) GAACYP3A4RXFP1CTDSP1TDP1

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 GAA 1542/4885CYP3A4 4080/4885RXFP1 717/4885

“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.