SCHEMBL1758424

SCHEMBL1758424

Cc1noc(C)c1NC=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.38
KMT2A Q03164 3/20 0.35
ERN1 O75460 3/20 0.35
BRD2 P25440 2/20 0.35
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RIPK1 Q13546 1/20 0.31

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
SCHEMBL27599899 0.74 BRD4 (0.41) BRD4KMT2AERN1BRD2MEN1
SCHEMBL4554973 0.72
SCHEMBL19287104 0.71 MAPT (0.51) BRD4KMT2ABRD2MEN1ALDH1A1
SCHEMBL20016686 0.70
SCHEMBL18884406 0.70
SCHEMBL3599701 0.70 BRD4 (0.46) BRD4KMT2ABRD2MEN1ALDH1A1
SCHEMBL18904014 0.70 KMT2A (0.35) BRD4KMT2ABRD2ALDH1A1L3MBTL1
SCHEMBL1747763 0.70 KMT2A (0.35) BRD4KMT2ABRD2ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL1375757 0.68 BRD4 (0.45) BRD4KMT2ABRD2MEN1ALDH1A1
SCHEMBL8260822 0.68 RIPK1 (0.44) BRD4KMT2ABRD2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817036-B1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMA (US) 2012-07-04 EP claimed
US-20110257153-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICAL NV 2011-10-20 US claimed
EP-2217237-A1 ARYL-SUBSTITUTED BRIDGED OR FUSED DIAMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP claimed
WO-2009058347-A1 ARYL-SUBSTITUTED BRIDGED OR FUSED DIAMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 WO claimed
US-20090111794-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US claimed
US-20070004765-A1 New compounds BIOVITRUM AB (SE) 2007-01-04 US claimed
WO-2006122931-A1 BETA-CARBOLINE DERIVATIVES AND THERI USE AS GHSR MODULATORS BIOVITRUM AB (PUBL) (SE) 2006-11-23 WO claimed
US-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists BIOVITRUM AB (SE) 2005-12-29 US claimed
WO-2005048916-A2 TETRAHYDROSPIRO-BETA-CARBOLINE-1,3 '-PYRROLIDINE DERIVATIVES AND THEIR USE IN GHSR-RELATED DISORDERS BIOVITRUM AB (SE) 2005-06-02 WO claimed
EP-2493886-B1 HETEROARYL PIPERIDINE AND PIPERAZINE DERIVATES BAYER CROPSCIENCE AG (DE) 2014-11-26 EP disclosed
US-8501781-B2 Heteroarylpiperidine and -piperazine derivatives BAYER CROPSCIENCE AG (DE) 2013-08-06 US disclosed
US-8367719-B2 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-02-05 US disclosed
US-8344008-B2 Aryl-substituted bridged or fused diamines as modulators of leukotriene A ydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-01-01 US disclosed
EP-2493886-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES Bayer CropScience AG (DE) 2012-09-05 EP disclosed
US-20070004765-A1 New compounds BIOVITRUM AB (SE) 2007-01-04 US disclosed
WO-2006122931-A1 BETA-CARBOLINE DERIVATIVES AND THERI USE AS GHSR MODULATORS BIOVITRUM AB (PUBL) (SE) 2006-11-23 WO disclosed
CN-1269813-C Imidazolo-5-yl-2-anilino-pyrimidines as agents for inhibition of cell proliferation ASTRAZENECA AB (SE) 2006-08-16 CN disclosed
US-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists BIOVITRUM AB (SE) 2005-12-29 US disclosed
WO-2005048916-A2 TETRAHYDROSPIRO-BETA-CARBOLINE-1,3 '-PYRROLIDINE DERIVATIVES AND THEIR USE IN GHSR-RELATED DISORDERS BIOVITRUM AB (SE) 2005-06-02 WO disclosed
EP-1351958-B1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-06-16 EP 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-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists GHSR, GHRHR, PRLHR BRD4 1031/4885KMT2A 2414/4885ERN1 4439/4885
US-20090111794-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S BRD4 281/4885KMT2A 2154/4885ERN1 3604/4885
US-20070004765-A1 New compounds GHSR, GIPR, PRLHR BRD4 1384/4885KMT2A 3641/4885ERN1 4504/4885
US-20110257153-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S BRD4 281/4885KMT2A 2154/4885ERN1 3604/4885

“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.