SCHEMBL4385099

SCHEMBL4385099

c1ccc2c(c1)NCCc1nc[nH]c1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.40
ALDH1A1 P00352 3/20 0.38
BCHE P06276 2/20 0.38
POLB P06746 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ACHE P22303 1/20 0.38
NOS2 P35228 1/20 0.35
JAK2 O60674 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRA1A P35348 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL9784260 0.83 JAK2 (0.42) ALDH1A1POLBRXFP1NOS2JAK2
SCHEMBL1496025 0.71 BRD4 (0.44) BRD4ALDH1A1BCHEPOLBACHE
SCHEMBL7335866 0.70 LTK (0.53) BRD4ALDH1A1BCHEACHENOS2
SCHEMBL5945579 0.69 NPY5R (0.46) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL157325 0.66
SCHEMBL29550114 0.66
SCHEMBL7255005 0.65 BRD4 (0.44) BRD4ALDH1A1BCHEPOLBRXFP1
SCHEMBL11802702 0.65 BRD4 (0.44) BRD4ALDH1A1BCHEPOLBACHE
SCHEMBL1617927 0.65 PDPK1 (0.59) BRD4ALDH1A1BCHEPOLBACHE
SCHEMBL68581 0.65 MEN1 (0.61) BRD4ALDH1A1BCHEPOLBACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034012-A1 1,4,5,6-Tetrahydroimidazo[4,5-d]diazepine derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2004-02-19 US claimed
EP-1338597-A1 1,4,5,6-TETRAHYDROIMIDAZO 4,5-D]DIAZEPINE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-08-27 EP claimed
EP-2127677-A1 AMINOALKYLMETHACRYLATE COPOLYMER E FOR MAINTAINING SOLUBILITY OF POORLY WATER-SOLUBLE DRUG Astellas Pharma Inc. (JP) 2009-12-02 EP disclosed
US-20080221047-A1 Aminoakyl methacrylate copolymer E for maintaining solubility of poorly-soluble drug ASTELLAS PHARMA INC., 2008-09-11 US disclosed
EP-1338597-A4 1,4,5,6-TETRAHYDROIMIDAZO 4,5-D DIAZEPINE DERIVATIVES OR SALTS THEREOF ASTELLAS PHARMA INC (JP) 2008-06-18 EP disclosed
US-20060142268-A1 1,4,5,6-tetrahydroimidazo[4,5-d]benzazepine derivative or salt thereof ASTELLAS PHARMA INC. 2006-06-29 US disclosed
US-20060142268-A1 1,4,5,6-tetrahydroimidazo[4,5-d]benzazepine derivative or salt thereof ASTELLAS PHARMA INC. 2006-06-29 US disclosed
US-20060142268-A1 1,4,5,6-tetrahydroimidazo[4,5-d]benzazepine derivative or salt thereof ASTELLAS PHARMA INC. 2006-06-29 US disclosed
US-7056910-B2 1,4,5.6-tetrahydroimidazo[4,5-d]diazepine derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2006-06-06 US disclosed
US-7056910-B2 1,4,5.6-tetrahydroimidazo[4,5-d]diazepine derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2006-06-06 US disclosed
US-20040034012-A1 1,4,5,6-Tetrahydroimidazo[4,5-d]diazepine derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2004-02-19 US disclosed
US-20040034012-A1 1,4,5,6-Tetrahydroimidazo[4,5-d]diazepine derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2004-02-19 US disclosed
JP-2004043456-A MEDICINE CONTAINING BENZAZEPINE DERIVATIVE OR ITS SALT AS ACTIVE COMPONENT YAMANOUCHI PHARMACEUT CO LTD 2004-02-12 JP disclosed
JP-2003342175-A THERAPEUTIC AGENT FOR MENIERE DISEASE COMPRISING NEW BENZAZEPINE DERIVATIVE OR ITS SALT AS ACTIVE INGREDIENT YAMANOUCHI PHARMACEUT CO LTD 2003-12-03 JP disclosed
EP-1338597-A1 1,4,5,6-TETRAHYDROIMIDAZO 4,5-D]DIAZEPINE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-08-27 EP disclosed
EP-1338597-A1 1,4,5,6-TETRAHYDROIMIDAZO 4,5-D]DIAZEPINE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-08-27 EP disclosed
JP-2002226480-A 1,4,5,6-TETRAHYDROIMIDAZO[4,5-D]BENZOAZEPINE DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMACEUT CO LTD 2002-08-14 JP disclosed
JP-2002226480-A 1,4,5,6-TETRAHYDROIMIDAZO[4,5-D]BENZOAZEPINE DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMACEUT CO LTD 2002-08-14 JP disclosed
WO-2002044179-A1 1,4,5,6-TETRAHYDROIMIDAZO[4,5-D]DIAZEPINE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2002-06-06 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-20060142268-A1 1,4,5,6-tetrahydroimidazo[4,5-d]benzazepine derivative or salt thereof AVPR2, AVPR1B, AVPR1A BRD4 20/4885ALDH1A1 1249/4885BCHE 1160/4885
US-20040034012-A1 1,4,5,6-Tetrahydroimidazo[4,5-d]diazepine derivatives or salts thereof AVPR1B, AVPR2, AVPR1A BRD4 5/4885ALDH1A1 1825/4885BCHE 813/4885

“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.