SCHEMBL2931107

SCHEMBL2931107

COc1ccc(CN2CCN(C(=O)O)CC2)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
KDM4E B2RXH2 5/20 0.53
TP53 P04637 2/20 0.53
MAPK1 P28482 2/20 0.53
FAAH O00519 2/20 0.53
ALDH1A1 P00352 4/20 0.50
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL20570843 0.84 FAAH (0.52) KMT2AMEN1KDM4EFAAHALDH1A1
SCHEMBL2312576 0.82 FAAH (0.54) KMT2AMEN1KDM4EFAAHALDH1A1
SCHEMBL2930893 0.81 CCR3 (0.58) KMT2AMEN1KDM4ETP53MAPK1
SCHEMBL2778173 0.81 FAAH (0.53) KMT2AMEN1KDM4EFAAHALDH1A1
SCHEMBL20569988 0.81 FAAH (0.48) KMT2AMEN1KDM4EFAAHALDH1A1
SCHEMBL20569780 0.80 FAAH (0.52) KMT2AMEN1KDM4EFAAHALDH1A1
SCHEMBL20490929 0.79 KMT2A (0.44) KMT2AMEN1KDM4ETP53MAPK1
SCHEMBL31608553 0.79 KMT2A (0.44) KMT2AMEN1KDM4ETP53MAPK1
SCHEMBL5376278 0.79 SLC6A9 (0.50) TP53LMNAPOLBALOX15TSHR
SCHEMBL20570037 0.79 FAAH (0.50) KMT2AMEN1KDM4EFAAHALDH1A1

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 KMT2A 3413/4885MEN1 4682/4885KDM4E 3958/4885

“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.