SCHEMBL2930893

SCHEMBL2930893

COc1ccc(CN2CCN(C(=O)O)CC2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.58
KDM4E B2RXH2 6/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.56
FAAH O00519 1/20 0.56
ALDH1A1 P00352 3/20 0.53
PKM P14618 1/20 0.50

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
SCHEMBL2932153 0.83 SIGMAR1 (0.69) KDM4EKMT2AMEN1FAAHALDH1A1
SCHEMBL16188034 0.83 MEN1 (0.63) CCR3KDM4EKMT2AMEN1ALDH1A1
SCHEMBL2927968 0.81 KDM4E (0.53) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL2931107 0.81 KMT2A (0.53) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL1005987 0.81 FAAH (0.54) KMT2AMEN1MAPK1FAAH
SCHEMBL6630360 0.80 SIGMAR1 (0.69) KDM4EKMT2AMEN1FAAHALDH1A1
SCHEMBL21618404 0.80 FAAH (0.53) KDM4EFAAHALDH1A1
SCHEMBL20500926 0.79 FAAH (0.50) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL20570688 0.77 FAAH (0.55) FAAHALDH1A1
SCHEMBL15070467 0.77 HTR7 (0.67) CCR3KDM4EKMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP claimed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP claimed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO claimed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US claimed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 CCR3 2335/4885KDM4E 3958/4885KMT2A 3413/4885

“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.