SCHEMBL4765463

SCHEMBL4765463

Brc1cccnc1-c1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.47
ADRA2C P18825 4/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
NISCH Q9Y2I1 2/20 0.47
MTOR P42345 1/20 0.47
ADK P55263 1/20 0.47
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AXL P30530 2/20 0.39
ADRA2B P18089 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
CSNK1A1 P48729 1/20 0.37
TYRO3 Q06418 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL7537761 0.78 CSNK1A1 (0.49) ADRA2AADRA1ANISCHMTORADK
SCHEMBL27573654 0.78 NISCH (0.46) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL29152388 0.77 NISCH (0.48) ADRA2ANISCHMTORADKALDH1A1
SCHEMBL6924805 0.77 ADRA2A (0.49) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL4764130 0.77 NISCH (0.47) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL7772699 0.76 CDC25B (0.46) ALDH1A1MEN1KMT2AAXLKDM4E
SCHEMBL29666462 0.76 CDC25B (0.46) ALDH1A1MEN1KMT2AAXLKDM4E
SCHEMBL1369295 0.74 NISCH (0.53) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL30222222 0.74 NISCH (0.53) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL3625099 0.74 NISCH (0.40) ADRA2AADRA2CADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100457756-C Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands NEUROGEN CORP (US) 2009-02-04 CN disclosed
US-20080139580-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2008-06-12 US disclosed
EP-1880998-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2008-01-23 EP disclosed
US-7271170-B2 Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
EP-1648899-B1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORP (US) 2007-01-03 EP disclosed
CN-1826345-A Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands NEUROGEN CORP A CORP OF THE ST (US) 2006-08-30 CN disclosed
EP-1648899-A2 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2006-04-26 EP disclosed
US-20050038043-A1 Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2005-02-17 US disclosed
WO-2005012306-A2 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-02-10 WO disclosed
EP-0857171-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-12 EP disclosed
WO-1997015555-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-01 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 (2 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-20050038043-A1 Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands GABRA3, GABRA1, GABBR1 ADRA2A 146/4885ADRA2C 104/4885ADRA1D 98/4885
US-20080139580-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS GABRA3, GABRA1, GABBR1 ADRA2A 146/4885ADRA2C 104/4885ADRA1D 98/4885

“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.