SCHEMBL4944567

SCHEMBL4944567

CCn1c(-c2ccco2)nnc1C(S)N1C=C(c2cc(F)cc(C#N)c2)ON1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
TSHR P16473 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PGR P06401 3/20 0.32
NR3C1 P04150 1/20 0.32
AR P10275 1/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TP53 P04637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.30
APLNR P35414 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
SCHEMBL4941807 0.87 ALDH1A1 (0.36) ALDH1A1TSHRSMN1; SMN2MAPTKDM4E
SCHEMBL4946807 0.85 MAPT (0.32) ALDH1A1TSHRSMN1; SMN2MAPTKDM4E
SCHEMBL4941963 0.81 KDM4E (0.35) ALDH1A1TSHRSMN1; SMN2MAPTKDM4E
SCHEMBL4944569 0.79 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2MAPTTP53
SCHEMBL1543943 0.78 GRM5 (0.41) ALDH1A1TSHRSMN1; SMN2MAPTKDM4E
SCHEMBL4946016 0.74 KMT2A (0.34) TSHRKMT2A
SCHEMBL4947616 0.73 MAPT (0.35) ALDH1A1TSHRMAPTKDM4ETP53
SCHEMBL1543944 0.68 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2MAPTTP53
SCHEMBL4938300 0.68 MAPT (0.46) ALDH1A1TSHRSMN1; SMN2MAPTTP53
SCHEMBL4941811 0.66 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2MAPTTP53

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 ALDH1A1 3875/4885TSHR 895/4885SMN1; 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.