SCHEMBL5485273

SCHEMBL5485273

COc1cc(-c2nnc(N3CCOCC3c3nc(-c4cccc(Cl)c4)no3)n2C)ccn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.42
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
CHEK1 O14757 1/20 0.41
ATR Q13535 1/20 0.41
PDCD1 Q15116 1/20 0.41
ATRIP Q8WXE1 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MDM2 Q00987 3/20 0.39

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
SCHEMBL5486686 0.91 GRM5 (0.42) GRM5HCRTR1HCRTR2MAPTLMNA
SCHEMBL5483157 0.88 MAPT (0.43) GRM5HCRTR1HCRTR2MAPTLMNA
SCHEMBL5485899 0.88 MAPT (0.43) GRM5HCRTR1HCRTR2MAPTLMNA
SCHEMBL5438651 0.88 MAPT (0.43) GRM5HCRTR1HCRTR2MAPTLMNA
SCHEMBL5479014 0.84 MAPT (0.45) GRM5HCRTR1HCRTR2MAPTLMNA
SCHEMBL5436283 0.81 HSD11B1 (0.42) GRM5HCRTR1HCRTR2MAPTLMNA
SCHEMBL5442569 0.81 GRM5 (0.42) GRM5MAPTLMNASMN1; SMN2MDM2
SCHEMBL27669234 0.79 MTOR (0.37) CHEK1ATRPDCD1ATRIPCD274
SCHEMBL4073239 0.79 GRM5 (0.51) GRM5HCRTR1HCRTR2MAPTLMNA
SCHEMBL5435557 0.78 GRM5 (0.36) GRM5LMNASMN1; SMN2

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-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US claimed
US-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-02-02 US claimed
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US disclosed
US-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-02-02 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 (2 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-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 GRM5 5/4885HCRTR1 109/4885HCRTR2 140/4885
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 GRM5 4/4885HCRTR1 113/4885HCRTR2 143/4885

“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.