SCHEMBL541987

SCHEMBL541987

NC1=CNc2ccccc2N=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
USP2 O75604 1/20 0.36
PPARG P37231 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
GRK6 P43250 1/20 0.32
TRPA1 O75762 1/20 0.31
NOS1 P29475 2/20 0.30
NOS3 P29474 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
SCHEMBL8547398 0.72 CYP3A4 (0.36) MEN1KMT2AUSP2PPARGKEAP1
SCHEMBL25873873 0.67 MEN1 (0.45) MEN1KMT2AUSP2PPARGKEAP1
SCHEMBL5259226 0.64 KMT2A (0.40) MEN1KMT2AUSP2PPARGKEAP1
SCHEMBL4364209 0.64 GAA (0.32) MAPTTRPA1
SCHEMBL29379681 0.64 GAA (0.32) MAPTTRPA1
SCHEMBL25290828 0.63 GAA (0.50) MAPT
SCHEMBL2210217 0.63 GAA (0.32) MAPTGRK6
SCHEMBL330550 0.63 GRK6 (0.34) MEN1KMT2AUSP2PPARGKEAP1
SCHEMBL9958738 0.63 GRK6 (0.34) MEN1KMT2AUSP2PPARGKEAP1
SCHEMBL2903859 0.63 GRK6 (0.34) MEN1KMT2AUSP2PPARGKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1234818-B1 CALCIUM SALTS OF 1,5-BENZODIAZEPINE DERIVATIVES, PROCESS FOR PRODUCING THE SALTS AND DRUGS CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 2004-09-08 EP claimed
US-6747022-B2 TREATING DIGESTIVE TRACT DISEASE RESULTING FROM EXCESSIVE SECRETION OF GASTRIC ACID ZERIA PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US claimed
US-20030096809-A1 Calcium salts of 1,5-benzodiazepine derivatives, process for producing the salts and drugs containing the same ZERIA PHARMACEUTICAL CO., LTD. (JP) 2003-05-22 US claimed
EP-1234818-A1 CALCIUM SALTS OF 1,5-BENZODIAZEPINE DERIVATIVES, PROCESS FOR PRODUCING THE SALTS AND DRUGS CONTAINING THE SAME Zeria Pharmaceutical Co., Ltd. (JP) 2002-08-28 EP claimed
EP-2415766-A1 METHOD FOR MANUFACTURING BENZODIAZEPINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120010401-A1 METHOD FOR MANUFACTURING 1,5-BENZODIAZEPINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 US disclosed
EP-1268517-B1 PROCESS FOR THE PREPARATION OF 3-AMINO-1,5-BENZODIAZEPINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-07-06 EP disclosed
EP-1234818-B1 CALCIUM SALTS OF 1,5-BENZODIAZEPINE DERIVATIVES, PROCESS FOR PRODUCING THE SALTS AND DRUGS CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 2004-09-08 EP disclosed
CN-1161345-C 1,5-benzodiazepine derivatives as cck-A receptor agonists 2004-08-11 CN disclosed
US-6747022-B2 TREATING DIGESTIVE TRACT DISEASE RESULTING FROM EXCESSIVE SECRETION OF GASTRIC ACID ZERIA PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-6673921-B2 REDUCTION AND HYDROGENOLYSIS TO FORM A BENZODIAZEPINE SMITHKLINE BEECHAM CORPORATION 2004-01-06 US disclosed
US-20030158082-A1 Chemical process GLAXO WELLCOME INC. 2003-08-21 US disclosed
EP-0785787-B1 USE OF 1,5-BENZODIAZEPINE DERIVATIVES FOR THE CONTROL OF GASTRIC EMPTYING IN PATIENTS WITH NON-INSULIN DEPENDENT DIABETES MELLITUS GLAXO WELLCOME INC (US) 2001-12-12 EP disclosed
WO-2001077143-A2 PROCESS FOR THE PREPARATION OF 3-AMINO-1, 5-BENZODIAZEPINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-10-18 WO disclosed
EP-0694039-B1 1,5-BENZODIAZEPINE DERIVATIVES HAVING CCK ANTAGONISTIC AND OR AGONISTIC ACTIVITY GLAXO WELLCOME INC (US) 2001-01-24 EP disclosed
US-5910495-A TREATING RAPID GASTRIC EMPTYING IN NON-INSULIN DEPENDENT DIABETIC CONDITIONS; AGONIST ACTIVITY FOR CHOLECYSTOKININ-A RECEPTOR GLAXO WELLCOME INC. (US) 1999-06-08 US disclosed
US-5780464-A MODULATORS FOR HORMONES CHOLECYSTOKININ (CCK) AND GASTRIN IN MAMMALS; BIOAVAILABILITY GLAXO WELLCOME INC. (US) 1998-07-14 US disclosed
US-5646140-A CHOLECYSTOKININ ANTAGONIST; APETITE CONTROL GLAXO WELLCOME INC. (US) 1997-07-08 US disclosed
CN-1143362-A Novel benzodizaepine derivative SHIONOGI & CO (JP) 1997-02-19 CN disclosed
WO-1994024149-A1 1,5-BENZODIAZEPINE DERIVATIVES HAVING CCK ANTAGONISTIC OR AGONISTIC ACTIVITY GLAXO INC. (US) 1994-10-27 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-20120010401-A1 METHOD FOR MANUFACTURING 1,5-BENZODIAZEPINE DERIVATIVE GABRA5, CYP3A5, GABRA1 MEN1 3263/4885KMT2A 883/4885USP2 3107/4885
US-20030096809-A1 Calcium salts of 1,5-benzodiazepine derivatives, process for producing the salts and drugs containing the same CCKBR, CCKAR, GABRB1 MEN1 2611/4885KMT2A 4022/4885USP2 2975/4885
US-20030158082-A1 Chemical process CYP4A11, GRHPR, HSD11B2 MEN1 727/4885KMT2A 1494/4885USP2 3147/4885

“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.