SCHEMBL1772241

SCHEMBL1772241

N#Cc1ccccc1Sc1ccccc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
MAP2K1 Q02750 4/20 0.51
MAP2K2 P36507 2/20 0.51
ALDH1A1 P00352 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 6/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
APOBEC3G Q9HC16 1/20 0.46
LMNA P02545 3/20 0.46
POLB P06746 3/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
GAA P10253 2/20 0.44
RAF1 P04049 1/20 0.44

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
SCHEMBL100732 0.87 CYP1A2 (0.76) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL9129561 0.81 CYP1A2 (0.68) CYP1A2CYP3A4CYP2C9CYP2C19MAP2K1
SCHEMBL29869345 0.80 MEN1 (0.68) CYP1A2CYP3A4CYP2C9CYP2C19MAP2K1
SCHEMBL713707 0.80 MEN1 (0.68) CYP1A2CYP3A4CYP2C9CYP2C19MAP2K1
SCHEMBL8880802 0.79 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL8881283 0.79 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C9CYP2C19MAP2K1
SCHEMBL16187979 0.78 CYP1A2 (0.63) CYP1A2CYP3A4CYP2C9CYP2C19MAP2K1
SCHEMBL9132754 0.78 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C9CYP2C19MAP2K1
SCHEMBL8880899 0.78 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C9CYP2C19MAP2K1
SCHEMBL6003193 0.78 MEN1 (0.65) CYP1A2CYP3A4CYP2C9CYP2C19MAP2K1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420807-B2 Process for the preparation of quetiapine FERMION OY (FI) 2013-04-16 US disclosed
EP-2245021-B1 A PROCESS FOR THE PREPARATION OF QUETIAPINE FERMION OY (FI) 2012-09-12 EP disclosed
US-20110112290-A1 PROCESS FOR THE PREPARATION OF QUETIAPINE FERMION OY (FI) 2011-05-12 US disclosed
EP-2245021-A1 A PROCESS FOR THE PREPARATION OF QUETIAPINE Fermion Oy (FI) 2010-11-03 EP disclosed
CN-1872846-B Method of preparing 2-benzothiazepines derivative UBE INDUSTRIES 2010-06-16 CN disclosed
US-7671195-B2 Process for preparing dibenzothiazepine compounds ASTRAZENECA UK LIMITED (GB) 2010-03-02 US disclosed
CN-100577653-C Process for preparing dibenzothiazepine  derivatives UBE INDUSTRIES 2010-01-06 CN disclosed
WO-2009095529-A1 A PROCESS FOR THE PREPARATION OF QUETIAPINE FERMION OY (FI) 2009-08-06 WO disclosed
CN-101389615-A Process for preparing dibenzothiazepine  compounds ASTRAZENECA UK LTD UBE IND (GB) 2009-03-18 CN disclosed
EP-1996568-A2 PROCESS FOR PREPARING DIBENZOTHIAZEPINE COMPOUNDS AstraZeneca UK Limited (GB) 2008-12-03 EP disclosed
CN-1037681-C Tetrazole derivatives and pharmaceutical NIPPON SHINYAKU CO LTD (JP) 1998-03-11 CN disclosed
US-5607929-A Antiviral dibenzothiazepinone derivatives GLAXO WELLCOME INC. (US) 1997-03-04 US disclosed
US-5589474-A Dibenzothiazepinthione as antiviral agents GLAXO WELLCOME INC. (US) 1996-12-31 US disclosed
US-5399703-A Antiallergens NIPPON SHINYAKU COMPANY, LIMITED (JP) 1995-03-21 US disclosed
EP-0583317-A1 DIBENZOTHIAZEPINTHIONE AS ANTIVIRAL AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-02-23 EP disclosed
EP-0583288-A1 ANTIVIZAL DIBENZOTHIAZEPINONE DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1994-02-23 EP disclosed
EP-0536400-A1 TETRAZOLE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-04-14 EP disclosed
WO-1992019607-A1 DIBENZOTHIAZEPINTHIONE AS ANTIVIRAL AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1992-11-12 WO disclosed
WO-1992019277-A1 ANTIVIRAL DIBENZOTHIAZEPINONE DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1992-11-12 WO disclosed
CN-1063687-A Terazole derivatives and medicine NIPPON SHINYAKU CO LTD (JP) 1992-08-19 CN 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-20110112290-A1 PROCESS FOR THE PREPARATION OF QUETIAPINE CYP3A5, QDPR, HTR5A CYP1A2 34/4885CYP3A4 4/4885CYP2C9 41/4885

“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.