SCHEMBL5869203

SCHEMBL5869203

Cc1cn(-c2nc(C3=Nc4ccc(-c5ccc(F)cc5)cc4NC(=O)C3)cs2)cn1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.41
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5869117 0.88 CYP3A4 (0.52) GRM2RAB9ASMN1; SMN2
SCHEMBL5869184 0.85 GRM2 (0.54) GRM2
SCHEMBL5869029 0.79 GRM2 (0.60) GRM2
SCHEMBL5868944 0.73 CYP3A4 (0.68) GRM2
SCHEMBL5869208 0.73 GRM2 (0.54) GRM2RAB9ASMN1; SMN2
SCHEMBL5868811 0.70 GRM2 (0.52) GRM2
SCHEMBL5869115 0.70
SCHEMBL5868765 0.69 GRM2 (0.61) GRM2
SCHEMBL5869077 0.69 GRM2 (0.47) GRM2RAB9ASMN1; SMN2
SCHEMBL5869017 0.68 GRM2 (0.43) GRM2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7151098-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US claimed
US-20060148791-A1 Glutamate receptor antagonists ADAM GEO 2006-07-06 US claimed
US-7151098-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US disclosed
US-20060148791-A1 Glutamate receptor antagonists ADAM GEO 2006-07-06 US disclosed
US-7018998-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-03-28 US disclosed
US-6960578-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2005-11-01 US disclosed
US-20050234048-A1 Glutamate receptor antagonists ADAM GEO 2005-10-20 US disclosed
EP-1224175-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-03-17 EP disclosed
US-20030092677-A1 Glutamate receptor antagonists ADAM GEO (DE) 2003-05-15 US disclosed
US-6509328-B1 Metabotropic glutamate receptor antagonists and accordingly are useful for the treatment of a range of neurological disorders, including psychosis, schizophrenia, Alzheimer's and others HOFFMANN-LA ROCHE INC. 2003-01-21 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 (3 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-20030092677-A1 Glutamate receptor antagonists GRM1, GRM3, GRM2 GRM2 3/4885MEN1 3699/4885MAPT 4357/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 GRM2 3/4885MEN1 3796/4885MAPT 4011/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 GRM2 3/4885MEN1 3796/4885MAPT 4011/4885

“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.