SCHEMBL2930129

SCHEMBL2930129

O=C(O)N1CCN(Cc2ccccn2)CC1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.72
KDM4E B2RXH2 10/20 0.72
MAPT P10636 1/20 0.69
TSHR P16473 1/20 0.69
MAPK1 P28482 1/20 0.69
NPSR1 Q6W5P4 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.63
LMNA P02545 1/20 0.60
GFER P55789 1/20 0.60
KMT2A Q03164 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 2/20 0.57
PKM P14618 1/20 0.55
POLB P06746 1/20 0.55

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
SCHEMBL23188192 0.86 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL30141847 0.85 CYP1A2 (0.71) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL29992091 0.85 CYP1A2 (0.71) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL1333260 0.85 CYP1A2 (0.71) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL1331974 0.85 CYP1A2 (0.71) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL20804356 0.85 CYP1A2 (0.71) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL8211724 0.84 KDM4E (0.68) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL21044013 0.84 KDM4E (0.68) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL30811211 0.84 KDM4E (0.68) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL30218423 0.84 KDM4E (0.68) ALDH1A1KDM4EMAPTTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448844-B Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE 2012-07-25 CN claimed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP claimed
CN-101448844-A Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE (CH) 2009-06-03 CN claimed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US claimed
CN-1602191-A Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2005-03-30 CN claimed
CN-101448844-B Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE 2012-07-25 CN disclosed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
CN-101448844-A Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE (CH) 2009-06-03 CN disclosed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP disclosed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US disclosed
CN-1326519-C Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2007-07-18 CN disclosed
US-20060160820-A1 Substituted piperazine carbamates NOVO NORDISK A/S (DK) 2006-07-20 US disclosed
CN-1602191-A Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2005-03-30 CN 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-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives ADORA2B, UTS2R, TBXA2R ALDH1A1 676/4885KDM4E 3958/4885MAPT 2948/4885
US-20060160820-A1 Substituted piperazine carbamates LIPE, PNLIP, LPL ALDH1A1 1504/4885KDM4E 1090/4885MAPT 4348/4885

“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.