SCHEMBL5868906

SCHEMBL5868906

CCOC(=O)c1csc(-n2ccnc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
MAPT P10636 5/20 0.51
NPC1 O15118 5/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 3/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
OGA O60502 1/20 0.43
CHEK1 O14757 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL21912296 0.85 ALDH1A1 (0.45) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL31216581 0.85 HTT (0.50) MAPTMEN1KMT2ACYP2C19MAOA
SCHEMBL5758347 0.83 RAB9A (0.56) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL3563236 0.80 CHEK1 (0.47) RAB9AMAPTNPC1CHEK1LMNA
SCHEMBL5868882 0.79 GAA (0.53) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL31216537 0.79 CHEK1 (0.48) ALDH1A1GAACYP1A2CYP2C19SMN1; SMN2
SCHEMBL6560539 0.76 RAB9A (0.51) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL6558268 0.76 RAB9A (0.51) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL3561688 0.76 CHEK1 (0.48) MAPTALDH1A1CYP1A2CYP2C19POLB
SCHEMBL25650489 0.76 OGA (0.44) MAPTALDH1A1MEN1KMT2ACYP1A2

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 14 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 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
EP-1100762-B1 ERYTHROMYCIN DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZAMBON SPA (IT) 2004-03-10 EP disclosed
EP-1224174-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2003-09-17 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
US-6468979-B1 ERYTHROMYCIN DERIVATIVES WITH BIHETEROCYCLIC GROUP AS SUBSTITUENT AT END OF CHAIN HAVE PARTICULARLY BROAD SPECTRUM OF ACTIVITY AND LONG DURATION OF ACTION ZAMBON GROUP S.P.A. (IT) 2002-10-22 US disclosed
US-6407094-B1 4-5-DIDEHYDRO-1,5-BENZODIAZEPIN-2-ONE DERIVATIVES; PSYCHOLOGICAL, NERVOUS SYSTEM, AND BRAIN DISORDERS; COGNITION ACTIVATORS; ALZHEIMER*S DISEASE, SCHIZOPHRENIA HOFFMANN-LA ROCHE INC. 2002-06-18 US disclosed
EP-1100762-A2 ERYTHROMYCIN DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.p.A. (IT) 2001-05-23 EP disclosed
WO-2000006606-A2 ERYTHROMYCIN DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.P.A. (IT) 2000-02-10 WO 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 RAB9A 1527/4885MAPT 4357/4885NPC1 2855/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 RAB9A 2325/4885MAPT 4011/4885NPC1 3580/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 RAB9A 2325/4885MAPT 4011/4885NPC1 3580/4885

“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.