SCHEMBL389879

SCHEMBL389879

O=C1CNC(=O)c2cc(Br)ccc2N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.56
CES1 P23141 1/20 0.56
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CMA1 P23946 1/20 0.50
AHR P35869 1/20 0.50
PARP10 Q53GL7 2/20 0.47
PARP1 P09874 1/20 0.47
ADRA1A P35348 1/20 0.47
CCNB2 O95067 2/20 0.47
CDK1 P06493 2/20 0.47
CCNB1 P14635 2/20 0.47
GSK3B P49841 2/20 0.47
CDK5 Q00535 2/20 0.47
CDK5R1 Q15078 2/20 0.47
CCNB3 Q8WWL7 2/20 0.47
LRRK2 Q5S007 2/20 0.46
GABRA1 P14867 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45

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
SCHEMBL21619357 0.88 CMA1 (0.51) TGM2CES1KMT2AMEN1CMA1
SCHEMBL22278373 0.82 CMA1 (0.56) TGM2CES1KMT2AMEN1CMA1
SCHEMBL1119397 0.82 CMA1 (0.56) TGM2CES1KMT2AMEN1CMA1
SCHEMBL2605640 0.79 TGM2 (0.56) TGM2CES1KMT2AMEN1CMA1
SCHEMBL14553936 0.79 PDE3B (0.39) TGM2CES1KMT2AMEN1GSK3B
SCHEMBL7332800 0.79 TGM2 (0.56) TGM2CES1KMT2AMEN1CCNB2
SCHEMBL26820457 0.79 PARP1 (0.47) KMT2AMEN1PARP10PARP1CCNB2
SCHEMBL30972546 0.79 TGM2 (0.77) TGM2CES1KMT2AMEN1CCNB2
SCHEMBL24665688 0.77 TGM2 (0.68) TGM2CES1KMT2AMEN1CCNB2
SCHEMBL23615507 0.77 TGM2 (0.52) TGM2CES1KMT2AMEN1CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3101013-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-10-21 EP disclosed
EP-3098218-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-03-25 EP disclosed
EP-3088395-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-03-25 EP disclosed
EP-3085694-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-03-25 EP disclosed
EP-3085696-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-03-04 EP disclosed
US-10034884-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2018-07-31 US disclosed
US-20170281637-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2017-10-05 US disclosed
US-20170281637-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2017-10-05 US disclosed
US-9717736-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2017-08-01 US disclosed
US-9717736-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2017-08-01 US disclosed
US-20070004707-A1 [1,4]Diazepino[6,7,1-IJ]quinoline derivatives as antipsychotic and antiobesity agents RAMAMOORTHY P S 2007-01-04 US disclosed
US-7129237-B2 [1,4]Diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents WYETH (US) 2006-10-31 US disclosed
EP-1497293-A1 (1,4)DIAZEPINO(6,7,1-IJ)QUINOLINE DERIVATIVES AS ANTI PSYCHOTIC AND ANTIOBESITY AGENTS Wyeth (US) 2005-01-19 EP disclosed
EP-1027042-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-08-18 EP disclosed
US-20040009970-A1 [1,4]Diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents WYETH 2004-01-15 US disclosed
WO-2003091250-A1 [1,4]DIAZEPINO[6,7,1-IJ]QUINOLINE DERIVATIVES AS ANTI PSYCHOTIC AND ANTIOBESITY AGENTS WYETH (US) 2003-11-06 WO disclosed
US-6458783-B1 INHIBITION OF FARNESYL TRANSFERASE, WHICH IS AN ENZYME INVOLVED IN RAS ONCOGENE EXPRESSION, IS EFFECTED BY COMPOUNDS OF THE FORMULAS OF BENODIAZEPINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2002-10-01 US disclosed
WO-2001081322-A1 NON-IMIDAZOLE BENZODIAZEPINE INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-01 WO disclosed
EP-1027042-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-16 EP disclosed
WO-1999018951-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-04-22 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 (4 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-20070004707-A1 [1,4]Diazepino[6,7,1-IJ]quinoline derivatives as antipsychotic and antiobesity agents HTR2C, HTR1A, HTR1D TGM2 3843/4885CES1 635/4885KMT2A 471/4885
US-20170281637-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR TGM2 3653/4885CES1 3656/4885KMT2A 2455/4885
US-10034884-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors MTOR, RICTOR, RPTOR TGM2 3653/4885CES1 3656/4885KMT2A 2455/4885
US-20040009970-A1 [1,4]Diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents HTR2C, HTR1A, HTR1D TGM2 3595/4885CES1 675/4885KMT2A 479/4885

“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.